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

Systemtic Name: [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-keto-ethyl]-ethyl-ammonium Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)NC(=O)NC2=CC(=C(C=C2)OCC)OCC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)NC(=O)NC2=CC(=C(C=C2)OCC)OCC

InChI

InChI=1S/C22H29N3O4/c1-4-25(15-17-10-8-7-9-11-17)16-21(26)24-22(27)23-18-12-13-19(28-5-2)20(14-18)29-6-3/h7-14H,4-6,15-16H2,1-3H3,(H2,23,24,26,27)/p+1