1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,2-dimethylchroman-6-yl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]piperazin-4-ium Traditional Name: 1-[(2,2-dimethylchroman-6-yl)methyl]-4-piperonyl-piperazin-1-ium Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H30N2O3/c1-24(2)8-7-20-13-18(3-5-21(20)29-24)15-25-9-11-26(12-10-25)16-19-4-6-22-23(14-19)28-17-27-22/h3-6,13-14H,7-12,15-17H2,1-2H3/p+1