1-[1-[2-(cyclohexen-1-yl)ethanoyl]piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[2-(cyclohexen-1-yl)ethanoyl]piperidin-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[2-(cyclohexen-1-yl)acetyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[2-(1-cyclohexenyl)-1-oxoethyl]-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[2-(cyclohexen-1-yl)acetyl]-4-piperidyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CC(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H39N3O2/c31-26(21-23-9-5-2-6-10-23)30-19-14-25(15-20-30)29-17-12-24(13-18-29)27(32)28-16-11-22-7-3-1-4-8-22/h1,3-4,7-9,24-25H,2,5-6,10-21H2,(H,28,32)/p+1