[2,2-dimethyl-3-[[(6R)-11-methyl-9-oxidanylidene-6-thiophen-3-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-8-yl]carbonylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[(6R)-11-methyl-9-oxidanylidene-6-thiophen-3-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-8-yl]carbonylamino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[(6R)-11-methyl-9-oxo-6-(3-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbonyl]amino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[[(6R)-11-methyl-9-oxo-6-(3-thiophenyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepin-8-yl]-oxomethyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[(6R)-11-methyl-9-oxo-6-thiophen-3-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbonyl]amino]propyl]-dimethylazanium Traditional Name: [3-[[(6R)-9-keto-11-methyl-6-(3-thienyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C26H32N3O2S2+ MolecularWeight: 482.68118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CSC=C4)C(=O)NCC(C)(C)C[NH+](C)C

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=CC=CC=C3S[C@H](C2)C4=CSC=C4)C(=O)NCC(C)(C)C[NH+](C)C

InChI

InChI=1S/C26H31N3O2S2/c1-17-12-21(30)24(25(31)27-15-26(2,3)16-28(4)5)20-13-23(18-10-11-32-14-18)33-22-9-7-6-8-19(22)29(17)20/h6-12,14,23H,13,15-16H2,1-5H3,(H,27,31)/p+1/t23-/m1/s1