(E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-(3-pyridyl)prop-2-en-1-one Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C=CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C24H30N4O2/c1-30-23-9-3-2-8-22(23)27-16-14-26(15-17-27)21-7-5-13-28(19-21)24(29)11-10-20-6-4-12-25-18-20/h2-4,6,8-12,18,21H,5,7,13-17,19H2,1H3/p+1/b11-10+/t21-/m0/s1