1,3-benzodioxol-5-yl-[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[3-(4-methoxyphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]methanone Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=C(NC=C2)CN3CCCC(C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=C(NC=C2)CN3CCC[C@@H](C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O4/c1-29-20-7-5-19(6-8-20)27-12-10-25-23(27)15-26-11-2-3-18(14-26)24(28)17-4-9-21-22(13-17)31-16-30-21/h4-10,12-13,18H,2-3,11,14-16H2,1H3/p+1/t18-/m0/s1