ethyl 4-[(3S)-1-[2-(1H-imidazol-2-yl)phenyl]carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[2-(1H-imidazol-2-yl)phenyl]carbonylpiperidin-3-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-piperidyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3S)-1-[[2-(1H-imidazol-2-yl)phenyl]-oxomethyl]-3-piperidinyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[2-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3S)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-piperidyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCN(C2)C(=O)C3=CC=CC=C3C4=NC=CN4

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H]2CCCN(C2)C(=O)C3=CC=CC=C3C4=NC=CN4

InChI

InChI=1S/C22H29N5O3/c1-2-30-22(29)26-14-12-25(13-15-26)17-6-5-11-27(16-17)21(28)19-8-4-3-7-18(19)20-23-9-10-24-20/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,23,24)/p+1/t17-/m0/s1