1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide Formula: C22H33N4OS+ MolecularWeight: 401.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H32N4OS/c1-16(2)23-22(27)17-7-13-26(14-8-17)18-9-11-25(12-10-18)15-21-24-19-5-3-4-6-20(19)28-21/h3-6,16-18H,7-15H2,1-2H3,(H,23,27)/p+1