diethyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepin-3-yl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(6-ethylidene-8-methyl-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]ethyl]ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=CC)N2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=CC)N2

InChI

InChI=1S/C23H29N3OS/c1-5-19-18-14-16(4)8-10-21(18)28-22-11-9-17(15-20(22)25-19)23(27)24-12-13-26(6-2)7-3/h5,8-11,14-15,25H,6-7,12-13H2,1-4H3,(H,24,27)/p+1