1-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]-2-ethyl-butan-1-one

Systemtic Name: 1-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]-2-ethyl-butan-1-one Openeye Name: 1-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]-2-ethyl-butan-1-one CAS Name: 1-[4-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-5-ium-2-yl]-1-piperazinyl]-2-ethyl-1-butanone IUPAC Name: 1-[4-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-5-ium-2-yl)piperazin-1-yl]-2-ethylbutan-1-one Traditional Name: 1-[4-(4,6-dipyrrolidino-s-triazin-5-ium-2-yl)piperazino]-2-ethyl-butan-1-one Formula: C21H36N7O+ MolecularWeight: 402.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C2=NC(=[NH+]C(=N2)N3CCCC3)N4CCCC4

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C2=NC(=[NH+]C(=N2)N3CCCC3)N4CCCC4

InChI

InChI=1S/C21H35N7O/c1-3-17(4-2)18(29)25-13-15-28(16-14-25)21-23-19(26-9-5-6-10-26)22-20(24-21)27-11-7-8-12-27/h17H,3-16H2,1-2H3/p+1