N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide

Systemtic Name: N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1-morpholin-4-ium-4-yl-cyclohexane-1-carboxamide Openeye Name: N-[(3R)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide CAS Name: N-[(3R)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-1-(4-morpholin-4-iumyl)-1-cyclohexanecarboxamide IUPAC Name: N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1-morpholin-4-ium-4-ylcyclohexane-1-carboxamide Traditional Name: N-[(3R)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-1-morpholin-4-ium-4-yl-cyclohexanecarboxamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCCN(C2)C3=NC4=CC=CC=C4S3)[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)(C(=O)N[C@@H]2CCCN(C2)C3=NC4=CC=CC=C4S3)[NH+]5CCOCC5

InChI

InChI=1S/C23H32N4O2S/c28-21(23(10-4-1-5-11-23)27-13-15-29-16-14-27)24-18-7-6-12-26(17-18)22-25-19-8-2-3-9-20(19)30-22/h2-3,8-9,18H,1,4-7,10-17H2,(H,24,28)/p+1/t18-/m1/s1