1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-[(3S)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-29-25-14-6-5-13-24(25)28-19-17-27(18-20-28)23-12-8-16-26(21-23)15-7-11-22-9-3-2-4-10-22/h2-7,9-11,13-14,23H,8,12,15-21H2,1H3/p+1/b11-7+/t23-/m0/s1