2-[1-methyl-2-[(1-methylpiperidin-4-ylidene)-thiophen-3-yl-methyl]imidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-methyl-2-[(1-methylpiperidin-4-ylidene)-thiophen-3-yl-methyl]imidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-methyl-2-[(1-methyl-4-piperidylidene)-(3-thienyl)methyl]imidazol-1-ium-1-yl]acetate CAS Name: 2-[1-methyl-2-[(1-methyl-4-piperidinylidene)-(3-thiophenyl)methyl]-1-imidazol-1-iumyl]acetate IUPAC Name: 2-[1-methyl-2-[(1-methylpiperidin-4-ylidene)-thiophen-3-ylmethyl]imidazol-1-ium-1-yl]acetate Traditional Name: 2-[1-methyl-2-[(1-methyl-4-piperidylidene)-(3-thienyl)methyl]imidazol-1-ium-1-yl]acetate Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C(C2=CSC=C2)C3=NC=C[N+]3(C)CC(=O)[O-])CC1

Isomeric SMILES

CN1CCC(=C(C2=CSC=C2)C3=NC=C[N+]3(C)CC(=O)[O-])CC1

InChI

InChI=1S/C17H21N3O2S/c1-19-7-3-13(4-8-19)16(14-5-10-23-12-14)17-18-6-9-20(17,2)11-15(21)22/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3