2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-benzaldehyde CAS Name: 2-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methylbenzaldehyde Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-benzaldehyde Formula: C19H23N2O+ MolecularWeight: 295.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C=O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)CC3=CC=CC=C3)C=O

InChI

InChI=1S/C19H22N2O/c1-16-13-19(8-7-18(16)15-22)21-11-9-20(10-12-21)14-17-5-3-2-4-6-17/h2-8,13,15H,9-12,14H2,1H3/p+1