(2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N3OS/c1-12(17(22)19-14-8-9-14)21-10-4-5-13(11-21)18-20-15-6-2-3-7-16(15)23-18/h2-3,6-7,12-14H,4-5,8-11H2,1H3,(H,19,22)/p+1/t12-,13+/m1/s1