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

Systemtic Name: (2R)-N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propionamide Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCC(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H33N3OS/c1-16(23(29)27-25-13-17-10-18(14-25)12-19(11-17)15-25)28-8-6-20(7-9-28)24-26-21-4-2-3-5-22(21)30-24/h2-5,16-20H,6-15H2,1H3,(H,27,29)/p+1/t16-,17?,18?,19?,25?/m1/s1