N-(6-azanyl-1,3-benzothiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-azanyl-1,3-benzothiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-amino-1,3-benzothiazol-2-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)N

InChI

InChI=1S/C15H20N4OS/c1-10-3-2-6-19(8-10)9-14(20)18-15-17-12-5-4-11(16)7-13(12)21-15/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,18,20)/p+1/t10-/m0/s1