N-phenethyl-1-[1-(thian-4-yl)piperidin-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-phenethyl-1-[1-(thian-4-yl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenethyl-1-(1-tetrahydrothiopyran-4-yl-4-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: N-phenethyl-1-[1-(4-thianyl)-4-piperidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenethyl-1-[1-(thian-4-yl)piperidin-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenethyl-1-(1-tetrahydrothiopyran-4-yl-4-piperidyl)piperidin-1-ium-4-carboxamide Formula: C24H38N3OS+ MolecularWeight: 416.64302

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)C4CCSCC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC2=CC=CC=C2)C3CCN(CC3)C4CCSCC4

InChI

InChI=1S/C24H37N3OS/c28-24(25-13-6-20-4-2-1-3-5-20)21-7-14-26(15-8-21)22-9-16-27(17-10-22)23-11-18-29-19-12-23/h1-5,21-23H,6-19H2,(H,25,28)/p+1