N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[(4S)-1'-methylspiro[chromane-2,4'-piperidin-1-ium]-4-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[(4S)-1'-methyl-4-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidin-1-ium]yl]-4-(phenylthio)butanamide IUPAC Name: N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidin-1-ium]-4-yl]-4-phenylsulfanylbutanamide Traditional Name: N-[(4S)-1'-methylspiro[chroman-2,4'-piperidin-1-ium]-4-yl]-4-(phenylthio)butyramide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2(CC1)CC(C3=CC=CC=C3O2)NC(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCC2(CC1)C[C@@H](C3=CC=CC=C3O2)NC(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O2S/c1-26-15-13-24(14-16-26)18-21(20-10-5-6-11-22(20)28-24)25-23(27)12-7-17-29-19-8-3-2-4-9-19/h2-6,8-11,21H,7,12-18H2,1H3,(H,25,27)/p+1/t21-/m0/s1