4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride

Systemtic Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-piperidine-4-carboxylic acid dihydrochloride Openeye Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)piperidine-4-carboxylic acid dihydrochloride CAS Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-yl-4-piperidinecarboxylic acid dihydrochloride IUPAC Name: 4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-pyridin-4-ylpiperidine-4-carboxylic acid dihydrochloride Traditional Name: 4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)sulfonylamino]-1-(4-pyridyl)isonipecotic acid dihydrochloride Formula: C21H28Cl2N6O4S MolecularWeight: 531.45582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N.Cl.Cl

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)S(=O)(=O)NC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N.Cl.Cl

InChI

InChI=1S/C21H26N6O4S.2ClH/c22-20(23)27-10-5-15-1-2-18(13-16(15)14-27)32(30,31)25-21(19(28)29)6-11-26(12-7-21)17-3-8-24-9-4-17;;/h1-4,8-9,13,25H,5-7,10-12,14H2,(H3,22,23)(H,28,29);2*1H