2-(4-methoxyphenyl)ethyl-bis[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-bis[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-(4-methoxyphenyl)ethyl-bis[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-bis[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 2-(4-methoxyphenyl)ethyl-bis[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: bis[2-keto-2-(p-toluidino)ethyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C27H31N3O3/c1-20-4-10-23(11-5-20)28-26(31)18-30(17-16-22-8-14-25(33-3)15-9-22)19-27(32)29-24-12-6-21(2)7-13-24/h4-15H,16-19H2,1-3H3,(H,28,31)(H,29,32)/p+1