2-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxy-benzenesulfinate

Systemtic Name: 2-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxy-benzenesulfinate Openeye Name: 2-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[[1-(cyclopropyliminomethyl)-4-piperidyl]oxy]benzenesulfinate CAS Name: 2-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[[1-(cyclopropyliminomethyl)-4-piperidinyl]oxy]benzenesulfinate IUPAC Name: 2-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxybenzenesulfinate Traditional Name: 2-(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)-4-[[1-(cyclopropyliminomethyl)-4-piperidyl]oxy]benzenesulfinate Formula: C25H30N5O3S- MolecularWeight: 480.6024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=CN2CCC(CC2)OC3=CC(=C(C=C3)S(=O)[O-])C4=CC5=C(CCN(C5)C(=N)N)C=C4

Isomeric SMILES

C1CC1N=CN2CCC(CC2)OC3=CC(=C(C=C3)S(=O)[O-])C4=CC5=C(CCN(C5)C(=N)N)C=C4

InChI

InChI=1S/C25H31N5O3S/c26-25(27)30-12-7-17-1-2-18(13-19(17)15-30)23-14-22(5-6-24(23)34(31)32)33-21-8-10-29(11-9-21)16-28-20-3-4-20/h1-2,5-6,13-14,16,20-21H,3-4,7-12,15H2,(H3,26,27)(H,31,32)/p-1