(3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(2-thenoyl)nipecotamide Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-31-21-11-9-19(10-12-21)22(27-13-3-2-4-14-27)17-26-24(29)20-7-5-15-28(18-20)25(30)23-8-6-16-32-23/h6,8-12,16,20,22H,2-5,7,13-15,17-18H2,1H3,(H,26,29)/p+1/t20-,22-/m0/s1