[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone

Systemtic Name: [5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone Openeye Name: [5-[(2R)-pyrrolidin-1-ium-2-yl]-2-thienyl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone CAS Name: [5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenyl]-[4-(4-quinazolinyl)-1-piperazinyl]methanone IUPAC Name: [5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone Traditional Name: [5-[(2R)-pyrrolidin-1-ium-2-yl]-2-thienyl]-(4-quinazolin-4-ylpiperazino)methanone Formula: C21H24N5OS+ MolecularWeight: 394.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)N3CCN(CC3)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)N3CCN(CC3)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C21H23N5OS/c27-21(19-8-7-18(28-19)17-6-3-9-22-17)26-12-10-25(11-13-26)20-15-4-1-2-5-16(15)23-14-24-20/h1-2,4-5,7-8,14,17,22H,3,6,9-13H2/p+1/t17-/m1/s1