2-[[3-(1-but-3-enoylpiperidin-4-yl)oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-(1-but-3-enoylpiperidin-4-yl)oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[(1-but-3-enoyl-4-piperidyl)oxy]benzoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[methyl-[oxo-[3-[[1-(1-oxobut-3-enyl)-4-piperidinyl]oxy]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[[3-(1-but-3-enoylpiperidin-4-yl)oxybenzoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[(1-but-3-enoyl-4-piperidyl)oxy]benzoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CCN(CC2)C(=O)CC=C

Isomeric SMILES

C[NH+](C)CCN(C)C(=O)C1=CC(=CC=C1)OC2CCN(CC2)C(=O)CC=C

InChI

InChI=1S/C21H31N3O3/c1-5-7-20(25)24-12-10-18(11-13-24)27-19-9-6-8-17(16-19)21(26)23(4)15-14-22(2)3/h5-6,8-9,16,18H,1,7,10-15H2,2-4H3/p+1