N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-N-methyl-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-4-carboxamide Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H36N2O3/c1-21(18-22-8-6-5-7-9-22)20-29-16-13-24(14-17-29)27(30)28(2)15-12-23-10-11-25(31-3)26(19-23)32-4/h5-11,18-19,24H,12-17,20H2,1-4H3/p+1/b21-18+