(6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)cyclohexane-1-carboxylate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)cyclohexane-1-carboxylate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-(aminomethyl)cyclohexanecarboxylate; methanesulfonic acid CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)cyclohexane-1-carboxylate; methanesulfonic acid Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C21H31N3O8S2 MolecularWeight: 517.61614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CC(CCC1CN)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CC(CCC1CN)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C19H23N3O2.2CH4O3S/c20-11-12-1-3-13(4-2-12)19(23)24-17-8-7-14-9-16(18(21)22)6-5-15(14)10-17;2*1-5(2,3)4/h5-10,12-13H,1-4,11,20H2,(H3,21,22);2*1H3,(H,2,3,4)