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

Systemtic Name: 4-[4-(phenylsulfonyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2,6-bis(1-pyrrolidinyl)-1,3,5-triazin-1-ium IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2,6-dipyrrolidin-1-yl-1,3,5-triazin-1-ium Traditional Name: 4-(4-besylpiperazino)-2,6-dipyrrolidino-s-triazin-1-ium Formula: C21H30N7O2S+ MolecularWeight: 444.5736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2S/c29-31(30,18-8-2-1-3-9-18)28-16-14-27(15-17-28)21-23-19(25-10-4-5-11-25)22-20(24-21)26-12-6-7-13-26/h1-3,8-9H,4-7,10-17H2/p+1