2-acetamidoethyl-[[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[4-[2-cyanoethyl(ethyl)amino]-2-methyl-phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[4-[2-cyanoethyl(ethyl)amino]-2-methyl-benzyl]ammonium Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)C[NH2+]CCNC(=O)C)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)C[NH2+]CCNC(=O)C)C

InChI

InChI=1S/C17H26N4O/c1-4-21(11-5-8-18)17-7-6-16(14(2)12-17)13-19-9-10-20-15(3)22/h6-7,12,19H,4-5,9-11,13H2,1-3H3,(H,20,22)/p+1