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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2,6-bis(1-pyrrolidinyl)-1,3,5-triazin-1-ium IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Traditional Name: 4-(4-p-anisylpiperazin-4-ium-1-yl)-2,6-dipyrrolidino-s-triazin-1-ium Formula: C23H35N7O+2 MolecularWeight: 425.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC(=[NH+]C(=N3)N4CCCC4)N5CCCC5

InChI

InChI=1S/C23H33N7O/c1-31-20-8-6-19(7-9-20)18-27-14-16-30(17-15-27)23-25-21(28-10-2-3-11-28)24-22(26-23)29-12-4-5-13-29/h6-9H,2-5,10-18H2,1H3/p+2