[5-[(Z)-N-[2-(benzotriazol-1-yl)ethanoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-[(Z)-N-[2-(benzotriazol-1-yl)ethanoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-azanium Openeye Name: [5-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-[(1Z)-1-[[2-(1-benzotriazolyl)-1-oxoethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methyl-diethylammonium IUPAC Name: [5-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl-diethylazanium Traditional Name: [5-[(Z)-N-[[2-(benzotriazol-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]-2-methoxy-benzyl]-diethyl-ammonium Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)C(=NNC(=O)CN2C3=CC=CC=C3N=N2)C)OC

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)/C(=N\NC(=O)CN2C3=CC=CC=C3N=N2)/C)OC

InChI

InChI=1S/C22H28N6O2/c1-5-27(6-2)14-18-13-17(11-12-21(18)30-4)16(3)23-25-22(29)15-28-20-10-8-7-9-19(20)24-26-28/h7-13H,5-6,14-15H2,1-4H3,(H,25,29)/p+1/b23-16-