2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-(1-veratrylpiperidin-1-ium-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C26H39N3O3+2 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H37N3O3/c1-27(2)16-17-29(20-21-8-6-5-7-9-21)26(30)23-12-14-28(15-13-23)19-22-10-11-24(31-3)25(18-22)32-4/h5-11,18,23H,12-17,19-20H2,1-4H3/p+2