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

Systemtic Name: 1-(2-methylphenyl)-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-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methylphenyl)-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-(o-tolyl)piperazine Formula: C25H34N3+ MolecularWeight: 376.55756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H33N3/c1-22-9-5-6-14-25(22)28-19-17-27(18-20-28)24-13-8-16-26(21-24)15-7-12-23-10-3-2-4-11-23/h2-7,9-12,14,24H,8,13,15-21H2,1H3/p+1/b12-7+/t24-/m0/s1