4-(aminomethyl)-2-carbamimidoyl-6-naphthalen-1-yl-benzoate; methanesulfonate

Systemtic Name: 4-(aminomethyl)-2-carbamimidoyl-6-naphthalen-1-yl-benzoate; methanesulfonate Openeye Name: 4-(aminomethyl)-2-carbamimidoyl-6-(1-naphthyl)benzoate; methanesulfonate CAS Name: 4-(aminomethyl)-2-carbamimidoyl-6-(1-naphthalenyl)benzoate; methanesulfonate IUPAC Name: 4-(aminomethyl)-2-carbamimidoyl-6-naphthalen-1-ylbenzoate; methanesulfonate Traditional Name: 2-amidino-4-(aminomethyl)-6-(1-naphthyl)benzoate dimesylate Formula: C21H22N3O8S2-3 MolecularWeight: 508.54468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2C3=CC(=CC(=C3C(=O)[O-])C(=N)N)CN

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=C2C3=CC(=CC(=C3C(=O)[O-])C(=N)N)CN

InChI

InChI=1S/C19H17N3O2.2CH4O3S/c20-10-11-8-15(17(19(23)24)16(9-11)18(21)22)14-7-3-5-12-4-1-2-6-13(12)14;2*1-5(2,3)4/h1-9H,10,20H2,(H3,21,22)(H,23,24);2*1H3,(H,2,3,4)/p-3