1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-piperidino-ethyl]-methyl-piperonyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)C(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)[C@@H](C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H26N2O3/c1-23(15-17-10-11-19-20(14-17)27-16-26-19)21(18-8-4-2-5-9-18)22(25)24-12-6-3-7-13-24/h2,4-5,8-11,14,21H,3,6-7,12-13,15-16H2,1H3/p+1/t21-/m0/s1