2-[1-methyl-2-(1-methyl-4-phenyl-piperidin-4-yl)imidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-2-(1-methyl-4-phenyl-piperidin-4-yl)imidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-methyl-2-(1-methyl-4-phenyl-4-piperidyl)imidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-methyl-2-(1-methyl-4-phenyl-4-piperidinyl)-1-imidazol-1-iumyl]acetic acid IUPAC Name: 2-[1-methyl-2-(1-methyl-4-phenylpiperidin-4-yl)imidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-methyl-2-(1-methyl-4-phenyl-4-piperidyl)imidazol-1-ium-1-yl]acetic acid Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-20-11-8-18(9-12-20,15-6-4-3-5-7-15)17-19-10-13-21(17,2)14-16(22)23/h3-7,10,13H,8-9,11-12,14H2,1-2H3/p+1