4-[[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)benzyl]amino]-4-keto-butyrate Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C18H25ClN2O4/c19-15-4-5-16(25-11-10-21-8-2-1-3-9-21)14(12-15)13-20-17(22)6-7-18(23)24/h4-5,12H,1-3,6-11,13H2,(H,20,22)(H,23,24)