2-[1-(2-azanylethyl)-5-chloranyl-1-(4-fluorophenyl)-2-piperidin-4-yl-indol-1-ium-3-yl]ethanamine

Systemtic Name: 2-[1-(2-azanylethyl)-5-chloranyl-1-(4-fluorophenyl)-2-piperidin-4-yl-indol-1-ium-3-yl]ethanamine Openeye Name: 2-[1-(2-aminoethyl)-5-chloro-1-(4-fluorophenyl)-2-(4-piperidyl)indol-1-ium-3-yl]ethanamine CAS Name: 2-[1-(2-aminoethyl)-5-chloro-1-(4-fluorophenyl)-2-(4-piperidinyl)-3-indol-1-iumyl]ethanamine IUPAC Name: 2-[1-(2-aminoethyl)-5-chloro-1-(4-fluorophenyl)-2-piperidin-4-ylindol-1-ium-3-yl]ethanamine Traditional Name: 2-[1-(2-aminoethyl)-5-chloro-1-(4-fluorophenyl)-2-(4-piperidyl)indol-1-ium-3-yl]ethylamine Formula: C23H29ClFN4+ MolecularWeight: 415.954563

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C3=C([N+]2(CCN)C4=CC=C(C=C4)F)C=CC(=C3)Cl)CCN

Isomeric SMILES

C1CNCCC1C2=C(C3=C([N+]2(CCN)C4=CC=C(C=C4)F)C=CC(=C3)Cl)CCN

InChI

InChI=1S/C23H29ClFN4/c24-17-1-6-22-21(15-17)20(7-10-26)23(16-8-12-28-13-9-16)29(22,14-11-27)19-4-2-18(25)3-5-19/h1-6,15-16,28H,7-14,26-27H2/q+1