1,3-benzodioxol-5-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-methylazanium Traditional Name: [(1R)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]-methyl-piperonyl-ammonium Formula: C25H23N2O3+ MolecularWeight: 399.46172

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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)C4=CNC5=CC=CC=C54

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)[C@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H22N2O3/c1-27(15-17-11-12-22-23(13-17)30-16-29-22)24(18-7-3-2-4-8-18)25(28)20-14-26-21-10-6-5-9-19(20)21/h2-14,24,26H,15-16H2,1H3/p+1/t24-/m1/s1