methyl 3-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]-2-oxidanylidene-imidazolidine-1-carboxylate

Systemtic Name: methyl 3-[2-[5-chloranyl-1-(4-fluorophenyl)-3-piperidin-4-yl-indol-1-ium-1-yl]ethyl]-2-oxidanylidene-imidazolidine-1-carboxylate Openeye Name: methyl 3-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-2-oxo-imidazolidine-1-carboxylate CAS Name: 3-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidinyl)-1-indol-1-iumyl]ethyl]-2-oxo-1-imidazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[5-chloro-1-(4-fluorophenyl)-3-piperidin-4-ylindol-1-ium-1-yl]ethyl]-2-oxoimidazolidine-1-carboxylate Traditional Name: 3-[2-[5-chloro-1-(4-fluorophenyl)-3-(4-piperidyl)indol-1-ium-1-yl]ethyl]-2-keto-imidazolidine-1-carboxylic acid methyl ester Formula: C26H29ClFN4O3+ MolecularWeight: 499.984863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(C1=O)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4CCNCC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC(=O)N1CCN(C1=O)CC[N+]2(C=C(C3=C2C=CC(=C3)Cl)C4CCNCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H29ClFN4O3/c1-35-26(34)31-13-12-30(25(31)33)14-15-32(21-5-3-20(28)4-6-21)17-23(18-8-10-29-11-9-18)22-16-19(27)2-7-24(22)32/h2-7,16-18,29H,8-15H2,1H3/q+1