1,3-benzodioxol-5-ylmethyl-[[1-(3-methoxyphenyl)pyrrol-2-yl]methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(3-methoxyphenyl)pyrrol-2-yl]methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-[[1-(3-methoxyphenyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-[[1-(3-methoxyphenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]-[[1-(3-methoxyphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[[1-(3-methoxyphenyl)pyrrol-2-yl]methyl]-piperonyl-ammonium Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC=CN3C4=CC(=CC=C4)OC)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC=CN3C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C23H26N2O4/c1-17(26)13-24(14-18-8-9-22-23(11-18)29-16-28-22)15-20-6-4-10-25(20)19-5-3-7-21(12-19)27-2/h3-12,17,26H,13-16H2,1-2H3/p+1/t17-/m0/s1