2-[1-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate dihydrochloride

Systemtic Name: 2-[1-[(4-carbamimidoylphenyl)carbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate dihydrochloride Openeye Name: 2-[1-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate dihydrochloride CAS Name: 2-[1-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate dihydrochloride IUPAC Name: 2-[1-[(4-carbamimidoylbenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate dihydrochloride Traditional Name: 2-[1-[(4-amidinobenzoyl)amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetate dihydrochloride Formula: C19H21Cl2N4O3- MolecularWeight: 424.30104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-].Cl.Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-].Cl.Cl

InChI

InChI=1S/C19H20N4O3.2ClH/c20-17(21)13-5-7-14(8-6-13)19(26)22-18-15-4-2-1-3-12(15)9-10-23(18)11-16(24)25;;/h1-8,18H,9-11H2,(H3,20,21)(H,22,26)(H,24,25);2*1H/p-1