1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]-methyl-piperonyl-ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3/c1-13-20(16-6-4-5-7-17(16)22-13)21(24)14(2)23(3)11-15-8-9-18-19(10-15)26-12-25-18/h4-10,14,22H,11-12H2,1-3H3/p+1/t14-/m0/s1