2-cyanoethyl-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-cyanoethyl-[2-(cyclopentylamino)-2-oxo-1-(p-tolyl)ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-methylammonium IUPAC Name: 2-cyanoethyl-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-methylazanium Traditional Name: 2-cyanoethyl-[2-(cyclopentylamino)-2-keto-1-(p-tolyl)ethyl]-methyl-ammonium Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)[NH+](C)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)NC2CCCC2)[NH+](C)CCC#N

InChI

InChI=1S/C18H25N3O/c1-14-8-10-15(11-9-14)17(21(2)13-5-12-19)18(22)20-16-6-3-4-7-16/h8-11,16-17H,3-7,13H2,1-2H3,(H,20,22)/p+1