ethyl 5-[(4-carbamimidoylphenyl)amino]-5-oxidanylidene-2-piperidin-4-yl-pentanoate; 3-heptyloxiran-2-one; methanesulfonate

Systemtic Name: ethyl 5-[(4-carbamimidoylphenyl)amino]-5-oxidanylidene-2-piperidin-4-yl-pentanoate; 3-heptyloxiran-2-one; methanesulfonate Openeye Name: ethyl 5-(4-carbamimidoylanilino)-5-oxo-2-(4-piperidyl)pentanoate; 3-heptyloxiran-2-one; methanesulfonate CAS Name: 5-(4-carbamimidoylanilino)-5-oxo-2-(4-piperidinyl)pentanoic acid ethyl ester; 3-heptyl-2-oxiranone; methanesulfonate IUPAC Name: ethyl 5-(4-carbamimidoylanilino)-5-oxo-2-piperidin-4-ylpentanoate; 3-heptyloxiran-2-one; methanesulfonate Traditional Name: 5-(4-amidinoanilino)-5-keto-2-(4-piperidyl)valeric acid ethyl ester; 3-heptyloxiran-2-one; mesylate Formula: C29H47N4O8S- MolecularWeight: 611.77048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(=O)O1.CCOC(=O)C(CCC(=O)NC1=CC=C(C=C1)C(=N)N)C2CCNCC2.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC1C(=O)O1.CCOC(=O)C(CCC(=O)NC1=CC=C(C=C1)C(=N)N)C2CCNCC2.CS(=O)(=O)[O-]

InChI

InChI=1S/C19H28N4O3.C9H16O2.CH4O3S/c1-2-26-19(25)16(13-9-11-22-12-10-13)7-8-17(24)23-15-5-3-14(4-6-15)18(20)21;1-2-3-4-5-6-7-8-9(10)11-8;1-5(2,3)4/h3-6,13,16,22H,2,7-12H2,1H3,(H3,20,21)(H,23,24);8H,2-7H2,1H3;1H3,(H,2,3,4)/p-1