1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-oxo-ethyl]-4-(1-piperidyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-4-(1-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-chloro-2,5-dimethoxy-anilino)-2-keto-ethyl]-4-piperidino-piperidin-1-ium-4-carboxamide Formula: C21H32ClN4O4+ MolecularWeight: 439.95618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)(C(=O)N)N3CCCCC3)OC)Cl

InChI

InChI=1S/C21H31ClN4O4/c1-29-17-13-16(18(30-2)12-15(17)22)24-19(27)14-25-10-6-21(7-11-25,20(23)28)26-8-4-3-5-9-26/h12-13H,3-11,14H2,1-2H3,(H2,23,28)(H,24,27)/p+1