1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3,5-dimethylanilino)-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:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3)C

InChI

InChI=1S/C21H32N4O2/c1-16-12-17(2)14-18(13-16)23-19(26)15-24-10-6-21(7-11-24,20(22)27)25-8-4-3-5-9-25/h12-14H,3-11,15H2,1-2H3,(H2,22,27)(H,23,26)/p+2