2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(4-methylcyclohexyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(4-methylcyclohexyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-methyl-N-(4-methylcyclohexyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)C[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H31N3OS/c1-16-9-11-18(12-10-16)24(2)21(26)15-25-13-5-6-17(14-25)22-23-19-7-3-4-8-20(19)27-22/h3-4,7-8,16-18H,5-6,9-15H2,1-2H3/p+1/t16?,17-,18?/m0/s1