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(6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)benzoate; methanesulfonic acid

(6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)benzoate; methanesulfonic acid

Systemtic Name:(6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)benzoate; methanesulfonic acid
Openeye Name:(6-carbamimidoyl-2-naphthyl) 4-(aminomethyl)benzoate; methanesulfonic acid
CAS Name:4-(aminomethyl)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid
IUPAC Name:(6-carbamimidoylnaphthalen-2-yl) 4-(aminomethyl)benzoate; methanesulfonic acid
Traditional Name:4-(aminomethyl)benzoic acid (6-amidino-2-naphthyl) ester; mesylic acid
Formula: C21H25N3O8S2
MolecularWeight: 511.5685
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1CN)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N


Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1CN)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N


InChI

InChI=1S/C19H17N3O2.2CH4O3S/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/h1-10H,11,20H2,(H3,21,22);2*1H3,(H,2,3,4)


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