(E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-2-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-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-(2-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(2-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one Traditional Name: (E)-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-3-(2-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=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)/C=C/C4=CC=CC=N4

InChI

InChI=1S/C24H30N4O2/c1-30-23-10-3-2-9-22(23)27-17-15-26(16-18-27)21-8-6-14-28(19-21)24(29)12-11-20-7-4-5-13-25-20/h2-5,7,9-13,21H,6,8,14-19H2,1H3/p+1/b12-11+/t21-/m0/s1