(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-thianyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)C(=O)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H29N3OS/c29-25(20-7-4-12-28(17-20)22-10-13-30-14-11-22)26-21-8-3-6-18(15-21)24-16-19-5-1-2-9-23(19)27-24/h1-3,5-6,8-9,15-16,20,22,27H,4,7,10-14,17H2,(H,26,29)/p+1/t20-/m0/s1