(6-carbamimidoylnaphthalen-2-yl) 4-[bis(azanyl)methylideneamino]-3-methyl-benzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-[bis(azanyl)methylideneamino]-3-methyl-benzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-guanidino-3-methyl-benzoate; methanesulfonic acid CAS Name: 4-(diaminomethylideneamino)-3-methylbenzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)-3-methylbenzoate; methanesulfonic acid Traditional Name: 4-guanidino-3-methyl-benzoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C22H27N5O8S2 MolecularWeight: 553.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H19N5O2.2CH4O3S/c1-11-8-15(5-7-17(11)25-20(23)24)19(26)27-16-6-4-12-9-14(18(21)22)3-2-13(12)10-16;2*1-5(2,3)4/h2-10H,1H3,(H3,21,22)(H4,23,24,25);2*1H3,(H,2,3,4)