methyl-[(3-methylthiophen-2-yl)methyl]-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name: methyl-[(3-methylthiophen-2-yl)methyl]-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: methyl-[(3-methyl-2-thienyl)methyl]-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ammonium CAS Name: methyl-[(3-methyl-2-thiophenyl)methyl]-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]ammonium IUPAC Name: methyl-[(3-methylthiophen-2-yl)methyl]-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]azanium Traditional Name: [3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C18H26N5OS+ MolecularWeight: 360.49694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H25N5OS/c1-15-5-13-25-16(15)14-21(2)8-4-17(24)22-9-11-23(12-10-22)18-19-6-3-7-20-18/h3,5-7,13H,4,8-12,14H2,1-2H3/p+1