[(2S,4S)-1-[(4-ethylphenyl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [(2S,4S)-1-[(4-ethylphenyl)methyl]-4-pyridin-2-ylsulfanyl-pyrrolidin-1-ium-2-yl]-morpholin-4-yl-methanone Openeye Name: [(2S,4S)-1-[(4-ethylphenyl)methyl]-4-(2-pyridylsulfanyl)pyrrolidin-1-ium-2-yl]-morpholino-methanone CAS Name: [(2S,4S)-1-[(4-ethylphenyl)methyl]-4-(2-pyridinylthio)-2-pyrrolidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(2S,4S)-1-[(4-ethylphenyl)methyl]-4-pyridin-2-ylsulfanylpyrrolidin-1-ium-2-yl]-morpholin-4-ylmethanone Traditional Name: [(2S,4S)-1-(4-ethylbenzyl)-4-(2-pyridylthio)pyrrolidin-1-ium-2-yl]-morpholino-methanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)N3CCOCC3)SC4=CC=CC=N4

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2C[C@H](C[C@H]2C(=O)N3CCOCC3)SC4=CC=CC=N4

InChI

InChI=1S/C23H29N3O2S/c1-2-18-6-8-19(9-7-18)16-26-17-20(29-22-5-3-4-10-24-22)15-21(26)23(27)25-11-13-28-14-12-25/h3-10,20-21H,2,11-17H2,1H3/p+1/t20-,21-/m0/s1