1,3-benzodioxol-5-ylmethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: [1-(6-methyl-1,3-benzothiazol-2-yl)pyrrol-2-yl]methyl-piperonyl-ammonium Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C=CC=C3C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O2S/c1-14-4-6-17-20(9-14)27-21(23-17)24-8-2-3-16(24)12-22-11-15-5-7-18-19(10-15)26-13-25-18/h2-10,22H,11-13H2,1H3/p+1