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

Systemtic Name: 1-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,4-dimethoxyanilino)-2-keto-ethyl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3)OC

InChI

InChI=1S/C21H32N4O4/c1-28-16-6-7-17(18(14-16)29-2)23-19(26)15-24-12-8-21(9-13-24,20(22)27)25-10-4-3-5-11-25/h6-7,14H,3-5,8-13,15H2,1-2H3,(H2,22,27)(H,23,26)/p+1