1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]-4-piperonyl-piperazine Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H32N4O2/c1-19-4-2-5-21(25-19)16-27-9-3-6-22(17-27)28-12-10-26(11-13-28)15-20-7-8-23-24(14-20)30-18-29-23/h2,4-5,7-8,14,22H,3,6,9-13,15-18H2,1H3/p+1/t22-/m0/s1