methyl-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(isopentylamino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium Traditional Name: [2-(isoamylamino)-2-keto-ethyl]-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCCC(C)C

InChI

InChI=1S/C17H27N3O2/c1-13(2)9-10-18-16(21)11-20(4)12-17(22)19-15-7-5-14(3)6-8-15/h5-8,13H,9-12H2,1-4H3,(H,18,21)(H,19,22)/p+1