(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)propanamide Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propanamide CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)propionamide Formula: C25H32N3OS+ MolecularWeight: 422.60608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N3OS/c1-16(2)20-9-7-8-17(3)23(20)27-24(29)18(4)28-14-12-19(13-15-28)25-26-21-10-5-6-11-22(21)30-25/h5-11,16,18-19H,12-15H2,1-4H3,(H,27,29)/p+1/t18-/m0/s1