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

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium CAS Name: 4-[4-(2-phenoxyethyl)-1-piperazinyl]-2,6-bis(1-pyrrolidinyl)-1,3,5-triazin-1-ium IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Traditional Name: 4-[4-(2-phenoxyethyl)piperazino]-2,6-dipyrrolidino-s-triazin-1-ium Formula: C23H34N7O+ MolecularWeight: 424.56236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C(=NC(=N2)N3CCN(CC3)CCOC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=[NH+]C(=NC(=N2)N3CCN(CC3)CCOC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C23H33N7O/c1-2-8-20(9-3-1)31-19-18-27-14-16-30(17-15-27)23-25-21(28-10-4-5-11-28)24-22(26-23)29-12-6-7-13-29/h1-3,8-9H,4-7,10-19H2/p+1