1-(azepan-1-yl)-2-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-5-ium-2-yl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4,6-dipyrrolidino-s-triazin-5-ium-2-yl)piperazin-1-ium-1-yl]ethanone Formula: C23H40N8O+2 MolecularWeight: 444.6167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C23H38N8O/c32-20(28-9-3-1-2-4-10-28)19-27-15-17-31(18-16-27)23-25-21(29-11-5-6-12-29)24-22(26-23)30-13-7-8-14-30/h1-19H2/p+2