2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N3O2S/c1-18-11-12-26(21-5-3-4-6-22(21)29-18)23(27)17-24-13-15-25(16-14-24)19-7-9-20(28-2)10-8-19/h3-10,18H,11-17H2,1-2H3/p+1/t18-/m1/s1