[3-[(2-azanyl-5-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [3-[(2-azanyl-5-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [3-(2-amino-5-chloro-anilino)-3-oxo-propyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [3-(2-amino-5-chloroanilino)-3-oxopropyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [3-(2-amino-5-chloroanilino)-3-oxopropyl]-(2-cyanoethyl)-methylazanium Traditional Name: [3-(2-amino-5-chloro-anilino)-3-keto-propyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H18ClN4O+ MolecularWeight: 281.76122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CCC(=O)NC1=C(C=CC(=C1)Cl)N

Isomeric SMILES

C[NH+](CCC#N)CCC(=O)NC1=C(C=CC(=C1)Cl)N

InChI

InChI=1S/C13H17ClN4O/c1-18(7-2-6-15)8-5-13(19)17-12-9-10(14)3-4-11(12)16/h3-4,9H,2,5,7-8,16H2,1H3,(H,17,19)/p+1