[3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-naphthalen-1-yl] 2-chloranylbenzenesulfonate hydrochloride

Systemtic Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxy-naphthalen-1-yl] 2-chloranylbenzenesulfonate hydrochloride Openeye Name: [3-(1-carbamimidoyl-4-piperidyl)-2-methoxy-1-naphthyl] 2-chlorobenzenesulfonate hydrochloride CAS Name: 2-chlorobenzenesulfonic acid [3-(1-carbamimidoyl-4-piperidinyl)-2-methoxy-1-naphthalenyl] ester hydrochloride IUPAC Name: [3-(1-carbamimidoylpiperidin-4-yl)-2-methoxynaphthalen-1-yl] 2-chlorobenzenesulfonate hydrochloride Traditional Name: 2-chlorobenzenesulfonic acid [3-(1-amidino-4-piperidyl)-2-methoxy-1-naphthyl] ester hydrochloride Formula: C23H25Cl2N3O4S MolecularWeight: 510.4333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C3CCN(CC3)C(=N)N)OS(=O)(=O)C4=CC=CC=C4Cl.Cl

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C3CCN(CC3)C(=N)N)OS(=O)(=O)C4=CC=CC=C4Cl.Cl

InChI

InChI=1S/C23H24ClN3O4S.ClH/c1-30-21-18(15-10-12-27(13-11-15)23(25)26)14-16-6-2-3-7-17(16)22(21)31-32(28,29)20-9-5-4-8-19(20)24;/h2-9,14-15H,10-13H2,1H3,(H3,25,26);1H