[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC=CC=C3N4CCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=CC=CC=C3N4CCCCC4)OCO2

InChI

InChI=1S/C24H29N3O4/c1-17(28)19-12-22-23(31-16-30-22)13-20(19)25-24(29)15-26(2)14-18-8-4-5-9-21(18)27-10-6-3-7-11-27/h4-5,8-9,12-13H,3,6-7,10-11,14-16H2,1-2H3,(H,25,29)/p+1