[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 3-(2-hydroxyethyloxy)benzenesulfonate hydrochloride

Systemtic Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methyl-phenyl] 3-(2-hydroxyethyloxy)benzenesulfonate hydrochloride Openeye Name: [3-(1-carbamimidoyl-4-piperidyl)-2-methoxy-5-methyl-phenyl] 3-(2-hydroxyethoxy)benzenesulfonate hydrochloride CAS Name: 3-(2-hydroxyethoxy)benzenesulfonic acid [3-(1-carbamimidoyl-4-piperidinyl)-2-methoxy-5-methylphenyl] ester hydrochloride IUPAC Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-5-methylphenyl] 3-(2-hydroxyethoxy)benzenesulfonate hydrochloride Traditional Name: 3-(2-hydroxyethoxy)benzenesulfonic acid [3-(1-amidino-4-piperidyl)-2-methoxy-5-methyl-phenyl] ester hydrochloride Formula: C22H30ClN3O6S MolecularWeight: 500.0081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC(=C3)OCCO.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCN(CC2)C(=N)N)OC)OS(=O)(=O)C3=CC=CC(=C3)OCCO.Cl

InChI

InChI=1S/C22H29N3O6S.ClH/c1-15-12-19(16-6-8-25(9-7-16)22(23)24)21(29-2)20(13-15)31-32(27,28)18-5-3-4-17(14-18)30-11-10-26;/h3-5,12-14,16,26H,6-11H2,1-2H3,(H3,23,24);1H