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

Systemtic Name: [3-[(5-azanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [3-(5-amino-2-methyl-anilino)-3-oxo-propyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [3-(5-amino-2-methylanilino)-3-oxopropyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [3-(5-amino-2-methylanilino)-3-oxopropyl]-(2-cyanoethyl)-methylazanium Traditional Name: [3-(5-amino-2-methyl-anilino)-3-keto-propyl]-(2-cyanoethyl)-methyl-ammonium Formula: C14H21N4O+ MolecularWeight: 261.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CC[NH+](C)CCC#N

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CC[NH+](C)CCC#N

InChI

InChI=1S/C14H20N4O/c1-11-4-5-12(16)10-13(11)17-14(19)6-9-18(2)8-3-7-15/h4-5,10H,3,6,8-9,16H2,1-2H3,(H,17,19)/p+1