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

Systemtic Name: 1-[4-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-5-ium-2-yl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4,6-dipyrrolidino-s-triazin-5-ium-2-yl)piperazino]phenyl]ethanone Formula: C23H32N7O+ MolecularWeight: 422.54648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C23H31N7O/c1-18(31)19-6-8-20(9-7-19)27-14-16-30(17-15-27)23-25-21(28-10-2-3-11-28)24-22(26-23)29-12-4-5-13-29/h6-9H,2-5,10-17H2,1H3/p+1