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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)C5CCSCC5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)C5CCSCC5

InChI

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