[1-(3-aminophenyl)-2-pyrrolidin-1-yl-ethyl]-(3,4-dichlorophenyl)-ethanoyl-methyl-azanium

Systemtic Name: [1-(3-aminophenyl)-2-pyrrolidin-1-yl-ethyl]-(3,4-dichlorophenyl)-ethanoyl-methyl-azanium Openeye Name: acetyl-[1-(3-aminophenyl)-2-pyrrolidin-1-yl-ethyl]-(3,4-dichlorophenyl)-methyl-ammonium CAS Name: acetyl-[1-(3-aminophenyl)-2-(1-pyrrolidinyl)ethyl]-(3,4-dichlorophenyl)-methylammonium IUPAC Name: acetyl-[1-(3-aminophenyl)-2-pyrrolidin-1-ylethyl]-(3,4-dichlorophenyl)-methylazanium Traditional Name: acetyl-[1-(3-aminophenyl)-2-pyrrolidino-ethyl]-(3,4-dichlorophenyl)-methyl-ammonium Formula: C21H26Cl2N3O+ MolecularWeight: 407.35664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C)(C1=CC(=C(C=C1)Cl)Cl)C(CN2CCCC2)C3=CC(=CC=C3)N

Isomeric SMILES

CC(=O)[N+](C)(C1=CC(=C(C=C1)Cl)Cl)C(CN2CCCC2)C3=CC(=CC=C3)N

InChI

InChI=1S/C21H26Cl2N3O/c1-15(27)26(2,18-8-9-19(22)20(23)13-18)21(14-25-10-3-4-11-25)16-6-5-7-17(24)12-16/h5-9,12-13,21H,3-4,10-11,14,24H2,1-2H3/q+1