(2S)-N-(6-azanyl-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(6-azanyl-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-piperidin-1-ium-1-yl-propionamide Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+]3CCCCC3

InChI

InChI=1S/C15H20N4OS/c1-10(19-7-3-2-4-8-19)14(20)18-15-17-12-6-5-11(16)9-13(12)21-15/h5-6,9-10H,2-4,7-8,16H2,1H3,(H,17,18,20)/p+1/t10-/m0/s1