(2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Systemtic Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-p-anisyl-propionamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-16(22(27)24-14-17-9-11-19(28-2)12-10-17)26-13-5-6-18(15-26)23-25-20-7-3-4-8-21(20)29-23/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3,(H,24,27)/p+1/t16-,18+/m1/s1