phenyl 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanesulfonic acid phenyl ester Formula: C20H23N2O3S2+ MolecularWeight: 403.53822

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H22N2O3S2/c23-27(24,25-17-6-2-1-3-7-17)15-14-22-12-10-16(11-13-22)20-21-18-8-4-5-9-19(18)26-20/h1-9,16H,10-15H2/p+1