5-azanyl-1-(3-phenylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one

Systemtic Name: 5-azanyl-1-(3-phenylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one Openeye Name: 5-amino-1-(3-phenylpropyl)-4-(4-phenylthiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one CAS Name: 5-amino-1-(3-phenylpropyl)-4-(4-phenyl-2-thiazolyl)-1,2-dihydropyrrol-1-ium-3-one IUPAC Name: 5-amino-1-(3-phenylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)-1,2-dihydropyrrol-1-ium-3-one Traditional Name: 5-amino-1-(3-phenylpropyl)-4-(4-phenylthiazol-2-yl)-2-pyrrolin-1-ium-3-one Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C([NH+]1CCCC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)C(=C([NH+]1CCCC2=CC=CC=C2)N)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS/c23-21-20(22-24-18(15-27-22)17-11-5-2-6-12-17)19(26)14-25(21)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,15H,7,10,13-14,23H2/p+1