[1-(3-azanyl-3-oxidanylidene-propyl)-6-carbamimidoyl-naphthalen-2-yl] 4-(diazanylmethylideneamino)benzoate; methanesulfonic acid

Systemtic Name: [1-(3-azanyl-3-oxidanylidene-propyl)-6-carbamimidoyl-naphthalen-2-yl] 4-(diazanylmethylideneamino)benzoate; methanesulfonic acid Openeye Name: [1-(3-amino-3-oxo-propyl)-6-carbamimidoyl-2-naphthyl] 4-(hydrazinomethyleneamino)benzoate; methanesulfonic acid CAS Name: 4-(hydrazinylmethylideneamino)benzoic acid [1-(3-amino-3-oxopropyl)-6-carbamimidoyl-2-naphthalenyl] ester; methanesulfonic acid IUPAC Name: [1-(3-amino-3-oxopropyl)-6-carbamimidoylnaphthalen-2-yl] 4-(hydrazinylmethylideneamino)benzoate; methanesulfonic acid Traditional Name: 4-(hydrazinomethyleneamino)benzoic acid [6-amidino-1-(3-amino-3-keto-propyl)-2-naphthyl] ester; mesylic acid Formula: C23H26N6O6S MolecularWeight: 514.55414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CCC(=O)N)N=CNN

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CCC(=O)N)N=CNN

InChI

InChI=1S/C22H22N6O3.CH4O3S/c23-20(29)10-8-18-17-7-3-15(21(24)25)11-14(17)4-9-19(18)31-22(30)13-1-5-16(6-2-13)27-12-28-26;1-5(2,3)4/h1-7,9,11-12H,8,10,26H2,(H2,23,29)(H3,24,25)(H,27,28);1H3,(H,2,3,4)