(2S)-2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-N-ethyl-propionamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-3-20-18(25)13(2)21-17(24)12-23-10-8-14(9-11-23)19-22-15-6-4-5-7-16(15)26-19/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,25)(H,21,24)/p+1/t13-/m0/s1