1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]ethanone Formula: C23H34N3O2S+ MolecularWeight: 416.59996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C23H33N3O2S/c1-18-9-16-26(20-7-3-4-8-21(20)29-18)22(27)17-24-14-10-19(11-15-24)23(28)25-12-5-2-6-13-25/h3-4,7-8,18-19H,2,5-6,9-17H2,1H3/p+1/t18-/m0/s1