1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(2,2-dimethylchroman-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(2,2-dimethylchroman-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H27N3O/c1-21(2)9-8-18-15-17(6-7-19(18)25-21)16-23-11-13-24(14-12-23)20-5-3-4-10-22-20/h3-7,10,15H,8-9,11-14,16H2,1-2H3/p+2