1,4-dithiepan-6-yl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(3S)-5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(3S)-5-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]ammonium Formula: C18H27N2OS2+ MolecularWeight: 351.54978

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(CS1)[NH2+]C2CC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

C1CSCC(CS1)[NH2+][C@H]2CC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H26N2OS2/c21-18-11-16(19-17-13-22-9-10-23-14-17)12-20(18)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,16-17,19H,4,7-14H2/p+1/t16-/m0/s1