(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C24H26N3OS+ MolecularWeight: 404.54774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H25N3OS/c1-15-22(18-7-3-4-8-19(18)25-15)23(28)16(2)27-13-11-17(12-14-27)24-26-20-9-5-6-10-21(20)29-24/h3-10,16-17,25H,11-14H2,1-2H3/p+1/t16-/m0/s1