2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(4-pyrrolidinoanilino)ethyl]-methyl-ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C23H31N3O3/c1-25(15-12-18-6-11-21(28-2)22(16-18)29-3)17-23(27)24-19-7-9-20(10-8-19)26-13-4-5-14-26/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,27)/p+1