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

Systemtic Name: ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-methylthiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-methyl-5-thiazolyl)methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-methylthiazol-5-yl)methyl]-4-(3-phenylpropyl)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=CN=C(S2)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2S/c1-3-26-21(25)22(11-7-10-19-8-5-4-6-9-19)12-14-24(15-13-22)17-20-16-23-18(2)27-20/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3/p+1