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

Systemtic Name: ethyl 4-[(3S)-1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O3/c1-4-26-19(25)22-10-8-21(9-11-22)16-6-5-7-23(13-16)18(24)17-14(2)12-15(3)20-17/h12,16,20H,4-11,13H2,1-3H3/p+1/t16-/m0/s1