1-(8-iodanyl-3,4-dihydro-2H-chromen-5-yl)-4-methyl-N,N-bis(phenylmethyl)piperazin-1-ium-1-amine

Systemtic Name: 1-(8-iodanyl-3,4-dihydro-2H-chromen-5-yl)-4-methyl-N,N-bis(phenylmethyl)piperazin-1-ium-1-amine Openeye Name: N,N-dibenzyl-1-(8-iodochroman-5-yl)-4-methyl-piperazin-1-ium-1-amine CAS Name: 1-(8-iodo-3,4-dihydro-2H-1-benzopyran-5-yl)-4-methyl-N,N-bis(phenylmethyl)-1-piperazin-1-iumamine IUPAC Name: N,N-dibenzyl-1-(8-iodo-3,4-dihydro-2H-chromen-5-yl)-4-methylpiperazin-1-ium-1-amine Traditional Name: dibenzyl-[1-(8-iodochroman-5-yl)-4-methyl-piperazin-1-ium-1-yl]amine Formula: C28H33IN3O+ MolecularWeight: 554.48559

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C2=C3CCCOC3=C(C=C2)I)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1CC[N+](CC1)(C2=C3CCCOC3=C(C=C2)I)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H33IN3O/c1-30-16-18-32(19-17-30,27-15-14-26(29)28-25(27)13-8-20-33-28)31(21-23-9-4-2-5-10-23)22-24-11-6-3-7-12-24/h2-7,9-12,14-15H,8,13,16-22H2,1H3/q+1