methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-(4-piperidinobenzyl)ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C21H26N2O3/c1-22(14-17-11-20-21(12-19(17)24)26-15-25-20)13-16-5-7-18(8-6-16)23-9-3-2-4-10-23/h5-8,11-12,24H,2-4,9-10,13-15H2,1H3/p+1