ethyl 4-(phenylmethyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[(4-propan-2-yl-2-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(4-isopropylthiazol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=CS2)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC(=CS2)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-4-26-21(25)22(14-18-8-6-5-7-9-18)10-12-24(13-11-22)15-20-23-19(16-27-20)17(2)3/h5-9,16-17H,4,10-15H2,1-3H3/p+1