1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]isonipecotamide Formula: C23H30N8O+2 MolecularWeight: 434.5373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCC1C(=O)N)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H28N8O/c24-21(32)17-6-10-30(11-7-17)22-18-4-1-2-5-19(18)27-20(28-22)16-29-12-14-31(15-13-29)23-25-8-3-9-26-23/h1-5,8-9,17H,6-7,10-16H2,(H2,24,32)/p+2