1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(2,2-dimethylchroman-6-yl)methyl]piperazine-1,4-diium CAS Name: 1-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(2,2-dimethylchroman-6-yl)methyl]piperazine-1,4-diium Formula: C23H32N2O+2 MolecularWeight: 352.51298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O/c1-23(2)11-10-21-16-20(8-9-22(21)26-23)18-25-14-12-24(13-15-25)17-19-6-4-3-5-7-19/h3-9,16H,10-15,17-18H2,1-2H3/p+2