(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclohexylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclohexyl-propionamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H29N3OS/c1-15(20(25)22-17-7-3-2-4-8-17)24-13-11-16(12-14-24)21-23-18-9-5-6-10-19(18)26-21/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,22,25)/p+1/t15-/m1/s1