(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N3OS/c1-14(19(23)22-10-4-5-11-22)21-12-8-15(9-13-21)18-20-16-6-2-3-7-17(16)24-18/h2-3,6-7,14-15H,4-5,8-13H2,1H3/p+1/t14-/m1/s1