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

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: [2-keto-2-(3-phenylpropylamino)ethyl]-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2/c1-17-10-12-19(13-11-17)23-21(26)16-24(2)15-20(25)22-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3,(H,22,25)(H,23,26)/p+1