[(3S)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-3-piperidyl]-methyl-ammonium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H30N2O3/c1-25(17-20-8-5-4-6-9-20)21-10-7-15-26(18-21)24(27)14-12-19-11-13-22(28-2)23(16-19)29-3/h4-6,8-9,11-14,16,21H,7,10,15,17-18H2,1-3H3/p+1/b14-12+/t21-/m0/s1