(6-carbamimidoylnaphthalen-2-yl) 6-azanylhexanoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 6-azanylhexanoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 6-aminohexanoate; methanesulfonic acid CAS Name: 6-aminohexanoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 6-aminohexanoate; methanesulfonic acid Traditional Name: 6-aminohexanoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C19H29N3O8S2 MolecularWeight: 491.57886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=C(C=CC(=C2)OC(=O)CCCCCN)C=C1C(=N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=C(C=CC(=C2)OC(=O)CCCCCN)C=C1C(=N)N

InChI

InChI=1S/C17H21N3O2.2CH4O3S/c18-9-3-1-2-4-16(21)22-15-8-7-12-10-14(17(19)20)6-5-13(12)11-15;2*1-5(2,3)4/h5-8,10-11H,1-4,9,18H2,(H3,19,20);2*1H3,(H,2,3,4)