4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CCCC2=NC3=CC=CC=C3S2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CCCC2=NC3=CC=CC=C3S2)[NH+]4CCCC4

InChI

InChI=1S/C24H29N3O2S/c1-29-21-11-4-2-9-18(21)20(27-15-6-7-16-27)17-25-23(28)13-8-14-24-26-19-10-3-5-12-22(19)30-24/h2-5,9-12,20H,6-8,13-17H2,1H3,(H,25,28)/p+1/t20-/m0/s1