6-(aminomethyl)-2-[2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(aminomethyl)-2-[2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(aminomethyl)-2-[2-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(aminomethyl)-2-[2-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(aminomethyl)-2-[2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(aminomethyl)-2-[2-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)CN)CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C3=NC(=O)C=C(N3)CN)CC4=CC=CS4

InChI

InChI=1S/C21H25N5OS/c22-13-17-12-20(27)24-21(23-17)19-6-2-1-4-16(19)14-25-7-9-26(10-8-25)15-18-5-3-11-28-18/h1-6,11-12H,7-10,13-15,22H2,(H,23,24,27)/p+1