1-(1-pent-4-enoylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1-pent-4-enoylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-(1-pent-4-enoyl-4-piperidyl)-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1-oxopent-4-enyl)-4-piperidinyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1-pent-4-enoylpiperidin-4-yl)-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(1-pent-4-enoyl-4-piperidyl)-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C=CCCC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O2/c1-2-3-9-23(28)27-18-13-22(14-19-27)26-16-11-21(12-17-26)24(29)25-15-10-20-7-5-4-6-8-20/h2,4-8,21-22H,1,3,9-19H2,(H,25,29)/p+1