[(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(3S)-5-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-(3-thienylmethyl)ammonium CAS Name: [(3S)-5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-(thiophen-3-ylmethyl)azanium Traditional Name: [(3S)-5-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]-(3-thenyl)ammonium Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=CSC=C3

Isomeric SMILES

C1[C@@H](CN(C1=O)CCCC2=CC=CC=C2)[NH2+]CC3=CSC=C3

InChI

InChI=1S/C18H22N2OS/c21-18-11-17(19-12-16-8-10-22-14-16)13-20(18)9-4-7-15-5-2-1-3-6-15/h1-3,5-6,8,10,14,17,19H,4,7,9,11-13H2/p+1/t17-/m0/s1