2-[4-(3,4-dimethoxyphenyl)-1-ethyl-5-piperidin-1-yl-pyrrolidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)-1-ethyl-5-piperidin-1-yl-pyrrolidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[4-(3,4-dimethoxyphenyl)-1-ethyl-5-(1-piperidyl)pyrrolidin-3-yl]-1,3-benzothiazole CAS Name: 2-[4-(3,4-dimethoxyphenyl)-1-ethyl-5-(1-piperidinyl)-3-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)-1-ethyl-5-piperidin-1-ylpyrrolidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[4-(3,4-dimethoxyphenyl)-1-ethyl-5-piperidino-pyrrolidin-3-yl]-1,3-benzothiazole Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C(C1N2CCCCC2)C3=CC(=C(C=C3)OC)OC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1CC(C(C1N2CCCCC2)C3=CC(=C(C=C3)OC)OC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H33N3O2S/c1-4-28-17-19(25-27-20-10-6-7-11-23(20)32-25)24(26(28)29-14-8-5-9-15-29)18-12-13-21(30-2)22(16-18)31-3/h6-7,10-13,16,19,24,26H,4-5,8-9,14-15,17H2,1-3H3