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

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-2,6-bis(1-pyrrolidinyl)-1,3,5-triazin-1-ium IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Traditional Name: 4-[4-(2-methoxyphenyl)piperazino]-2,6-dipyrrolidino-s-triazin-1-ium Formula: C22H32N7O+ MolecularWeight: 410.53578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C22H31N7O/c1-30-19-9-3-2-8-18(19)26-14-16-29(17-15-26)22-24-20(27-10-4-5-11-27)23-21(25-22)28-12-6-7-13-28/h2-3,8-9H,4-7,10-17H2,1H3/p+1