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

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[5-[(2R)-pyrrolidin-1-ium-2-yl]-2-thienyl]methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-[5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenyl]methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-[5-[(2R)-pyrrolidin-1-ium-2-yl]-2-thienyl]methanone Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=CC=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=CC=C(S2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C17H21N5OS/c23-16(15-5-4-14(24-15)13-3-1-6-18-13)21-9-11-22(12-10-21)17-19-7-2-8-20-17/h2,4-5,7-8,13,18H,1,3,6,9-12H2/p+1/t13-/m1/s1