1,4-dithiepan-6-yl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxidanylidene-pyrrolidin-3-yl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-pyrrolidin-3-yl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(3S)-5-keto-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ammonium Formula: C18H27N2O2S2+ MolecularWeight: 367.54918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CC(CC2=O)[NH2+]C3CSCCSC3

Isomeric SMILES

COC1=CC=C(C=C1)CCN2C[C@H](CC2=O)[NH2+]C3CSCCSC3

InChI

InChI=1S/C18H26N2O2S2/c1-22-17-4-2-14(3-5-17)6-7-20-11-15(10-18(20)21)19-16-12-23-8-9-24-13-16/h2-5,15-16,19H,6-13H2,1H3/p+1/t15-/m0/s1