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

Systemtic Name: 1-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-methoxyanilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-methoxyanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-methoxyanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(p-anisidino)ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C20H32N4O3+2 MolecularWeight: 376.49308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O3/c1-27-17-7-5-16(6-8-17)22-18(25)15-23-13-9-20(10-14-23,19(21)26)24-11-3-2-4-12-24/h5-8H,2-4,9-15H2,1H3,(H2,21,26)(H,22,25)/p+2