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

Systemtic Name: (2S)-N-(6-azanyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(6-amino-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C14H19N4OS+ MolecularWeight: 291.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC2=C(S1)C=C(C=C2)N)[NH+]3CCCC3

InChI

InChI=1S/C14H18N4OS/c1-9(18-6-2-3-7-18)13(19)17-14-16-11-5-4-10(15)8-12(11)20-14/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,16,17,19)/p+1/t9-/m0/s1