methanesulfonate; naphthalen-2-yl 6-carbamimidoyloctadecanoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 6-carbamimidoyloctadecanoate Openeye Name: methanesulfonate; 2-naphthyl 6-carbamimidoyloctadecanoate CAS Name: 6-carbamimidoyloctadecanoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 6-carbamimidoyloctadecanoate Traditional Name: 6-amidinostearic acid 2-naphthyl ester mesylate Formula: C30H47N2O5S- MolecularWeight: 547.76958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCC(=O)OC1=CC2=CC=CC=C2C=C1)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCCC(=O)OC1=CC2=CC=CC=C2C=C1)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C29H44N2O2.CH4O3S/c1-2-3-4-5-6-7-8-9-10-11-17-25(29(30)31)18-14-15-20-28(32)33-27-22-21-24-16-12-13-19-26(24)23-27;1-5(2,3)4/h12-13,16,19,21-23,25H,2-11,14-15,17-18,20H2,1H3,(H3,30,31);1H3,(H,2,3,4)/p-1