ethyl 4-[(3S)-1-[(5-fluoranyl-1H-indol-2-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-fluoranyl-1H-indol-2-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(5-fluoro-1H-indole-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(5-fluoro-1H-indol-2-yl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(5-fluoro-1H-indole-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H28FN4O3+ MolecularWeight: 403.470423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C21H27FN4O3/c1-2-29-21(28)25-10-8-24(9-11-25)17-4-3-7-26(14-17)20(27)19-13-15-12-16(22)5-6-18(15)23-19/h5-6,12-13,17,23H,2-4,7-11,14H2,1H3/p+1/t17-/m0/s1