[(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(3S)-2,5-bis(oxidanylidene)-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(2-thienylmethyl)ammonium CAS Name: [(3S)-2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(3S)-2,5-diketo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(2-thenyl)ammonium Formula: C18H21N2O3S+ MolecularWeight: 345.43594

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH2+]CC3=CC=CS3

Isomeric SMILES

CCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH2+]CC3=CC=CS3

InChI

InChI=1S/C18H20N2O3S/c1-2-9-23-14-7-5-13(6-8-14)20-17(21)11-16(18(20)22)19-12-15-4-3-10-24-15/h3-8,10,16,19H,2,9,11-12H2,1H3/p+1/t16-/m0/s1