3-methoxy-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanyl-benzaldehyde

Systemtic Name: 3-methoxy-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanyl-benzaldehyde Openeye Name: 4-hydroxy-3-methoxy-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzaldehyde CAS Name: 4-hydroxy-3-methoxy-5-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]benzaldehyde IUPAC Name: 4-hydroxy-3-methoxy-5-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]benzaldehyde Traditional Name: 4-hydroxy-3-methoxy-5-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]benzaldehyde Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C(=CC(=C3)C=O)OC)O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C(=CC(=C3)C=O)OC)O

InChI

InChI=1S/C20H24N2O3/c1-15-5-3-4-6-18(15)22-9-7-21(8-10-22)13-17-11-16(14-23)12-19(25-2)20(17)24/h3-6,11-12,14,24H,7-10,13H2,1-2H3/p+1