1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2-methoxyphenyl)-4-(1-piperonylpiperidin-1-ium-4-yl)piperazin-4-ium Formula: C24H33N3O3+2 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H31N3O3/c1-28-22-5-3-2-4-21(22)27-14-12-26(13-15-27)20-8-10-25(11-9-20)17-19-6-7-23-24(16-19)30-18-29-23/h2-7,16,20H,8-15,17-18H2,1H3/p+2