(6-chloranyl-1,3-benzodioxol-5-yl)methyl-[(4-dimethylaminophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[(4-dimethylaminophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(4-dimethylaminophenyl)methyl]-(3-imidazol-1-ylpropyl)ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(4-dimethylaminophenyl)methyl]-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[(4-dimethylaminophenyl)methyl]-(3-imidazol-1-ylpropyl)azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[4-(dimethylamino)benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C23H28ClN4O2+ MolecularWeight: 427.94702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C23H27ClN4O2/c1-26(2)20-6-4-18(5-7-20)14-28(10-3-9-27-11-8-25-16-27)15-19-12-22-23(13-21(19)24)30-17-29-22/h4-8,11-13,16H,3,9-10,14-15,17H2,1-2H3/p+1