3-[(3-chlorophenyl)-(4-methylphenyl)carbonyl-amino]propylazanium

Systemtic Name: 3-[(3-chlorophenyl)-(4-methylphenyl)carbonyl-amino]propylazanium Openeye Name: 3-(3-chloro-N-(4-methylbenzoyl)anilino)propylammonium CAS Name: 3-(3-chloro-N-[(4-methylphenyl)-oxomethyl]anilino)propylammonium IUPAC Name: 3-(3-chloro-N-(4-methylbenzoyl)anilino)propylazanium Traditional Name: 3-(3-chloro-N-p-toluoyl-anilino)propylammonium Formula: C17H20ClN2O+ MolecularWeight: 303.8065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCC[NH3+])C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCC[NH3+])C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H19ClN2O/c1-13-6-8-14(9-7-13)17(21)20(11-3-10-19)16-5-2-4-15(18)12-16/h2,4-9,12H,3,10-11,19H2,1H3/p+1