3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-benzaldehyde

Systemtic Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-benzaldehyde Openeye Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-benzaldehyde CAS Name: 3-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methoxybenzaldehyde IUPAC Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxybenzaldehyde Traditional Name: 3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-benzaldehyde Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C[NH+]2CCN(CC2)CCO

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C[NH+]2CCN(CC2)CCO

InChI

InChI=1S/C15H22N2O3/c1-20-15-3-2-13(12-19)10-14(15)11-17-6-4-16(5-7-17)8-9-18/h2-3,10,12,18H,4-9,11H2,1H3/p+1