2-[[3-chloranyl-4-(1-pent-4-enoylpiperidin-4-yl)oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-chloranyl-4-(1-pent-4-enoylpiperidin-4-yl)oxy-phenyl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-chloro-4-[(1-pent-4-enoyl-4-piperidyl)oxy]benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-chloro-4-[[1-(1-oxopent-4-enyl)-4-piperidinyl]oxy]phenyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[3-chloro-4-(1-pent-4-enoylpiperidin-4-yl)oxybenzoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[3-chloro-4-[(1-pent-4-enoyl-4-piperidyl)oxy]benzoyl]amino]ethyl-dimethyl-ammonium Formula: C21H31ClN3O3+ MolecularWeight: 408.94214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)C(=O)CCC=C)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC(=C(C=C1)OC2CCN(CC2)C(=O)CCC=C)Cl

InChI

InChI=1S/C21H30ClN3O3/c1-4-5-6-20(26)25-12-9-17(10-13-25)28-19-8-7-16(15-18(19)22)21(27)23-11-14-24(2)3/h4,7-8,15,17H,1,5-6,9-14H2,2-3H3,(H,23,27)/p+1