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

Systemtic Name: ethyl 4-[(3S)-1-[(2,3-dimethyl-1H-indol-5-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(2,3-dimethyl-1H-indole-5-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(2,3-dimethyl-1H-indol-5-yl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(2,3-dimethyl-1H-indole-5-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H33N4O3+ MolecularWeight: 413.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC(=C4C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC4=C(C=C3)NC(=C4C)C

InChI

InChI=1S/C23H32N4O3/c1-4-30-23(29)26-12-10-25(11-13-26)19-6-5-9-27(15-19)22(28)18-7-8-21-20(14-18)16(2)17(3)24-21/h7-8,14,19,24H,4-6,9-13,15H2,1-3H3/p+1/t19-/m0/s1