2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-butan-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H25N3OS/c1-3-13(2)19-17(22)12-21-10-8-14(9-11-21)18-20-15-6-4-5-7-16(15)23-18/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,22)/p+1/t13-/m0/s1