methyl N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]carbamate

Systemtic Name: methyl N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]carbamate Openeye Name: methyl N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]carbamate CAS Name: N-[5-[(4-phenyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]carbamate Traditional Name: N-[5-[(4-phenylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]carbamic acid methyl ester Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC=C(S1)C[NH+]2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1=NC=C(S1)C[NH+]2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S/c1-22-17(21)19-16-18-11-15(23-16)12-20-9-7-14(8-10-20)13-5-3-2-4-6-13/h2-6,11,14H,7-10,12H2,1H3,(H,18,19,21)/p+1