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

Systemtic Name: ethyl 4-[(3S)-1-[(5-ethanoyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H33N4O4+ MolecularWeight: 405.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=C(NC(=C3C)C(=O)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=C(NC(=C3C)C(=O)C)C

InChI

InChI=1S/C21H32N4O4/c1-5-29-21(28)24-11-9-23(10-12-24)17-7-6-8-25(13-17)20(27)18-14(2)19(16(4)26)22-15(18)3/h17,22H,5-13H2,1-4H3/p+1/t17-/m0/s1