methyl-[(3S)-1-[(2-methyl-1,3-benzothiazol-5-yl)carbonyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(2-methyl-1,3-benzothiazol-5-yl)carbonyl]piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[(3S)-1-(2-methyl-1,3-benzothiazole-5-carbonyl)-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium CAS Name: methyl-[(3S)-1-[(2-methyl-1,3-benzothiazol-5-yl)-oxomethyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[(3S)-1-(2-methyl-1,3-benzothiazole-5-carbonyl)-3-piperidyl]-[2-(2-pyridyl)ethyl]ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C(=O)N3CCCC(C3)[NH+](C)CCC4=CC=CC=N4

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C(=O)N3CCC[C@@H](C3)[NH+](C)CCC4=CC=CC=N4

InChI

InChI=1S/C22H26N4OS/c1-16-24-20-14-17(8-9-21(20)28-16)22(27)26-12-5-7-19(15-26)25(2)13-10-18-6-3-4-11-23-18/h3-4,6,8-9,11,14,19H,5,7,10,12-13,15H2,1-2H3/p+1/t19-/m0/s1