2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(E)-3-(3-pyridyl)prop-2-enoyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[(E)-3-(3-pyridyl)acryloyl]-3-piperidyl]ammonium Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)C(=O)C=CC3=CN=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)C(=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-26(15-12-19-8-10-22(29-2)23(16-19)30-3)21-7-5-14-27(18-21)24(28)11-9-20-6-4-13-25-17-20/h4,6,8-11,13,16-17,21H,5,7,12,14-15,18H2,1-3H3/p+1/b11-9+/t21-/m0/s1