(2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-3-(3-methylphenoxy)propan-2-ol Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H26N2O2S/c1-16-5-4-6-19(13-16)26-15-18(25)14-24-11-9-17(10-12-24)22-23-20-7-2-3-8-21(20)27-22/h2-8,13,17-18,25H,9-12,14-15H2,1H3/p+1/t18-/m0/s1