2-[(4-chlorophenyl)carbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chlorophenyl)carbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chlorophenyl)carbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-chloroanilino)-oxomethyl]-[1-(3-pyridin-1-iumyl)ethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chlorophenyl)carbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chlorophenyl)carbamoyl-(1-pyridin-1-ium-3-ylethyl)amino]ethyl-dimethyl-ammonium Formula: C18H25ClN4O+2 MolecularWeight: 348.8703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[NH+]=CC=C1)N(CC[NH+](C)C)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C1=C[NH+]=CC=C1)N(CC[NH+](C)C)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H23ClN4O/c1-14(15-5-4-10-20-13-15)23(12-11-22(2)3)18(24)21-17-8-6-16(19)7-9-17/h4-10,13-14H,11-12H2,1-3H3,(H,21,24)/p+2