1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c1-25(14-19-7-8-21-22(13-19)29-17-28-21)16-23(27)24-20-9-11-26(12-10-20)15-18-5-3-2-4-6-18/h2-8,13,20H,9-12,14-17H2,1H3,(H,24,27)/p+2