3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)amino]-1,5-dihydroimidazol-3-ium-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylphenyl)amino]-1,5-dihydroimidazol-3-ium-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylanilino)-1,5-dihydroimidazol-3-ium-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylanilino)-1,5-dihydroimidazol-3-ium-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylanilino)-1,5-dihydroimidazol-3-ium-4-one Traditional Name: 3-piperonyl-2-(p-toluidino)-2-imidazolin-3-ium-4-one Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=[N+](C(=O)CN2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=[N+](C(=O)CN2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3/c1-12-2-5-14(6-3-12)20-18-19-9-17(22)21(18)10-13-4-7-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H,19,20)/p+1