2-[2-chloranyl-6-methoxy-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide

Systemtic Name: 2-[2-chloranyl-6-methoxy-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-phenoxy]ethanamide Openeye Name: 2-[2-chloro-6-methoxy-4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]phenoxy]acetamide CAS Name: 2-[2-chloro-6-methoxy-4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]phenoxy]acetamide IUPAC Name: 2-[2-chloro-6-methoxy-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[2-chloro-4-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-6-methoxy-phenoxy]acetamide Formula: C21H30ClN4O5+ MolecularWeight: 453.9397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3)Cl)OCC(=O)N

InChI

InChI=1S/C21H29ClN4O5/c1-30-17-12-15(11-16(22)20(17)31-14-18(23)27)21(29)26-9-7-24(8-10-26)13-19(28)25-5-3-2-4-6-25/h11-12H,2-10,13-14H2,1H3,(H2,23,27)/p+1