7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-methyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride

Systemtic Name: 7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-methyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride Openeye Name: 7-[[4-[(1-carbamimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-methyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine dihydrochloride CAS Name: 7-[[4-[(1-carbamimidoyl-4-piperidinyl)oxy]phenyl]sulfonyl-methylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride IUPAC Name: 7-[[4-(1-carbamimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-methylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide dihydrochloride Traditional Name: 7-[[4-[(1-amidino-4-piperidyl)oxy]phenyl]sulfonyl-methyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine dihydrochloride Formula: C23H33Cl2N7O3S MolecularWeight: 558.52422

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(CCN(C2)C(=N)N)C=C1)S(=O)(=O)C3=CC=C(C=C3)OC4CCN(CC4)C(=N)N.Cl.Cl

Isomeric SMILES

CN(C1=CC2=C(CCN(C2)C(=N)N)C=C1)S(=O)(=O)C3=CC=C(C=C3)OC4CCN(CC4)C(=N)N.Cl.Cl

InChI

InChI=1S/C23H31N7O3S.2ClH/c1-28(18-3-2-16-8-11-30(23(26)27)15-17(16)14-18)34(31,32)21-6-4-19(5-7-21)33-20-9-12-29(13-10-20)22(24)25;;/h2-7,14,20H,8-13,15H2,1H3,(H3,24,25)(H3,26,27);2*1H