2-[1-methyl-2-[(1-methylpiperidin-4-ylidene)-(1-methylpyrrol-3-yl)methyl]imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-2-[(1-methylpiperidin-4-ylidene)-(1-methylpyrrol-3-yl)methyl]imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-methyl-2-[(1-methyl-4-piperidylidene)-(1-methylpyrrol-3-yl)methyl]imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-methyl-2-[(1-methyl-4-piperidinylidene)-(1-methyl-3-pyrrolyl)methyl]-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-methyl-2-[(1-methylpiperidin-4-ylidene)-(1-methylpyrrol-3-yl)methyl]imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-methyl-2-[(1-methyl-4-piperidylidene)-(1-methylpyrrol-3-yl)methyl]imidazol-1-ium-1-yl]acetic acid Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-20-8-4-14(5-9-20)17(15-6-10-21(2)12-15)18-19-7-11-22(18,3)13-16(23)24/h6-7,10-12H,4-5,8-9,13H2,1-3H3/p+1