2-[(3S)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethylazanium

Systemtic Name: 2-[(3S)-1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylethylazanium Openeye Name: 2-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylethylammonium CAS Name: 2-[[(3S)-1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]ethylammonium IUPAC Name: 2-[(3S)-1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylethylazanium Traditional Name: 2-[[(3S)-1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]ethylammonium Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC[NH3+]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)SCC[NH3+]

InChI

InChI=1S/C18H26N2O3S/c1-2-3-4-5-11-23-15-8-6-14(7-9-15)20-17(21)13-16(18(20)22)24-12-10-19/h6-9,16H,2-5,10-13,19H2,1H3/p+1/t16-/m0/s1