4-methylidene-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1H-quinazolin-2-one

Systemtic Name: 4-methylidene-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1H-quinazolin-2-one Openeye Name: 4-methylene-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1H-quinazolin-2-one CAS Name: 4-methylene-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-1H-quinazolin-2-one IUPAC Name: 4-methylidene-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1H-quinazolin-2-one Traditional Name: 4-methylene-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-1H-quinazolin-2-one Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2NC(=O)N1CC(C3=CC=CS3)[NH+]4CCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2NC(=O)N1C[C@@H](C3=CC=CS3)[NH+]4CCCC4

InChI

InChI=1S/C19H21N3OS/c1-14-15-7-2-3-8-16(15)20-19(23)22(14)13-17(18-9-6-12-24-18)21-10-4-5-11-21/h2-3,6-9,12,17H,1,4-5,10-11,13H2,(H,20,23)/p+1/t17-/m0/s1