ethyl 4-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(2-pyrrolidin-1-ylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[2-(1-pyrrolidinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(2-pyrrolidinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H34N5O2S+ MolecularWeight: 408.58126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CN=C(S3)N4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CN=C(S3)N4CCCC4

InChI

InChI=1S/C20H33N5O2S/c1-2-27-20(26)25-12-10-23(11-13-25)17-6-5-7-22(15-17)16-18-14-21-19(28-18)24-8-3-4-9-24/h14,17H,2-13,15-16H2,1H3/p+1/t17-/m0/s1