(3-chlorophenyl)methyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (3-chlorophenyl)methyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3-chlorophenyl)methyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (3-chlorophenyl)methyl-[2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (3-chlorophenyl)methyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methylazanium Traditional Name: (3-chlorobenzyl)-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl]-methyl-ammonium Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+](C)CC2=CC(=CC=C2)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+](C)CC2=CC(=CC=C2)Cl)OCC

InChI

InChI=1S/C21H26ClN3O4/c1-4-28-18-10-9-17(12-19(18)29-5-2)23-21(27)24-20(26)14-25(3)13-15-7-6-8-16(22)11-15/h6-12H,4-5,13-14H2,1-3H3,(H2,23,24,26,27)/p+1