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

Systemtic Name: 1-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-ethylanilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-ethylanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-ethylanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-ethylanilino)-2-keto-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C21H32N4O2/c1-2-17-6-8-18(9-7-17)23-19(26)16-24-14-10-21(11-15-24,20(22)27)25-12-4-3-5-13-25/h6-9H,2-5,10-16H2,1H3,(H2,22,27)(H,23,26)/p+2