[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: [3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: [3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-piperidyl]-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: [3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-piperidinyl]-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: [3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: [3-[homoveratryl(methyl)amino]piperidino]-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-23(12-8-17-6-7-20(28-2)21(15-17)29-3)19-5-4-11-24(16-19)22(26)18-9-13-25(27)14-10-18/h6-7,9-10,13-15,19H,4-5,8,11-12,16H2,1-3H3