N-(2-methylsulfanylethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-methylsulfanylethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-methylsulfanylethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(methylthio)ethyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-methylsulfanylethyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(methylthio)ethyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H39N3OS+2 MolecularWeight: 405.64026

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CSCCNC(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H37N3OS/c1-28-19-13-24-23(27)21-9-17-26(18-10-21)22-11-15-25(16-12-22)14-5-8-20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-19H2,1H3,(H,24,27)/p+2