1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-ethoxyanilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-ethoxyanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-ethoxyanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(o-phenetidino)ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C21H32N4O3/c1-2-28-18-9-5-4-8-17(18)23-19(26)16-24-14-10-21(11-15-24,20(22)27)25-12-6-3-7-13-25/h4-5,8-9H,2-3,6-7,10-16H2,1H3,(H2,22,27)(H,23,26)/p+2