1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-methyl-piperonyl-ammonium Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3/c1-18-5-3-4-6-20(18)15-25-9-11-26(12-10-25)23(27)16-24(2)14-19-7-8-21-22(13-19)29-17-28-21/h3-8,13H,9-12,14-17H2,1-2H3/p+2