(4-methoxycarbonylphenyl)methyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH2+]CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH2+]CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O3/c1-14(2)18-7-5-6-15(3)20(18)23-19(24)13-22-12-16-8-10-17(11-9-16)21(25)26-4/h5-11,14,22H,12-13H2,1-4H3,(H,23,24)/p+1