cyanomethyl-[(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: cyanomethyl-[(2S)-4-methyl-1-[(4-methylphenyl)amino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: cyanomethyl-[(1S)-3-methyl-1-(p-tolylcarbamoyl)butyl]ammonium CAS Name: cyanomethyl-[(2S)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]ammonium IUPAC Name: cyanomethyl-[(2S)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]azanium Traditional Name: cyanomethyl-[(1S)-3-methyl-1-(p-tolylcarbamoyl)butyl]ammonium Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CC(C)C)[NH2+]CC#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CC(C)C)[NH2+]CC#N

InChI

InChI=1S/C15H21N3O/c1-11(2)10-14(17-9-8-16)15(19)18-13-6-4-12(3)5-7-13/h4-7,11,14,17H,9-10H2,1-3H3,(H,18,19)/p+1/t14-/m0/s1