1,3-benzothiazol-5-yl-[(5R)-9-(3-phenylpropyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone

Systemtic Name: 1,3-benzothiazol-5-yl-[(5R)-9-(3-phenylpropyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone Openeye Name: 1,3-benzothiazol-5-yl-[(5R)-9-(3-phenylpropyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone CAS Name: 1,3-benzothiazol-5-yl-[(5R)-9-(3-phenylpropyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone IUPAC Name: 1,3-benzothiazol-5-yl-[(5R)-9-(3-phenylpropyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone Traditional Name: 1,3-benzothiazol-5-yl-[(5R)-9-(3-phenylpropyl)-3-aza-9-azoniaspiro[4.5]decan-3-yl]methanone Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCN(C2)C(=O)C3=CC4=C(C=C3)SC=N4)C[NH+](C1)CCCC5=CC=CC=C5

Isomeric SMILES

C1C[C@]2(CCN(C2)C(=O)C3=CC4=C(C=C3)SC=N4)C[NH+](C1)CCCC5=CC=CC=C5

InChI

InChI=1S/C25H29N3OS/c29-24(21-9-10-23-22(16-21)26-19-30-23)28-15-12-25(18-28)11-5-14-27(17-25)13-4-8-20-6-2-1-3-7-20/h1-3,6-7,9-10,16,19H,4-5,8,11-15,17-18H2/p+1/t25-/m0/s1