(E)-3-phenyl-1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-piperidyl]prop-2-en-1-one CAS Name: (E)-1-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-piperidinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidino]prop-2-en-1-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c29-23(10-9-20-6-2-1-3-7-20)27-14-11-21(12-15-27)24(30)28-18-16-26(17-19-28)22-8-4-5-13-25-22/h1-10,13,21H,11-12,14-19H2/p+1/b10-9+