3-azanyl-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]benzamide hydrochloride

Systemtic Name: 3-azanyl-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]benzamide hydrochloride Openeye Name: 3-amino-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methyl]benzamide hydrochloride CAS Name: 3-amino-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide hydrochloride IUPAC Name: 3-amino-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide hydrochloride Traditional Name: N-[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]-3-amino-benzamide hydrochloride Formula: C18H22ClN5O3 MolecularWeight: 391.85198

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=CC=C2)N.Cl

Isomeric SMILES

CNC(=O)COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2=CC(=CC=C2)N.Cl

InChI

InChI=1S/C18H21N5O3.ClH/c1-22-16(24)10-26-15-8-11(17(20)21)5-6-13(15)9-23-18(25)12-3-2-4-14(19)7-12;/h2-8H,9-10,19H2,1H3,(H3,20,21)(H,22,24)(H,23,25);1H