2-[4-(phenylmethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 2-[4-(phenylmethyl)-1-piperidinyl]-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(4-benzylpiperidino)-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=CC=[NH+]3)C(=O)NCC4=CC=CS4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=CC=[NH+]3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C23H25N3OS/c27-23(25-17-20-8-5-15-28-20)21-9-4-12-24-22(21)26-13-10-19(11-14-26)16-18-6-2-1-3-7-18/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,25,27)/p+1