1-[2-[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[2-keto-2-(o-anisidino)ethyl]-propyl-amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)C[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C20H30N4O4/c1-3-10-24(13-18(25)22-16-6-4-5-7-17(16)28-2)19(26)14-23-11-8-15(9-12-23)20(21)27/h4-7,15H,3,8-14H2,1-2H3,(H2,21,27)(H,22,25)/p+1