1-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C20H31N5O5+2 MolecularWeight: 421.49064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O5/c1-30-17-13-15(25(28)29)5-6-16(17)22-18(26)14-23-11-7-20(8-12-23,19(21)27)24-9-3-2-4-10-24/h5-6,13H,2-4,7-12,14H2,1H3,(H2,21,27)(H,22,26)/p+2