3-methyl-4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzaldehyde

Systemtic Name: 3-methyl-4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzaldehyde Openeye Name: 4-(4-isopropylpiperazin-4-ium-1-yl)-3-methyl-benzaldehyde CAS Name: 3-methyl-4-(4-propan-2-yl-1-piperazin-4-iumyl)benzaldehyde IUPAC Name: 3-methyl-4-(4-propan-2-ylpiperazin-4-ium-1-yl)benzaldehyde Traditional Name: 4-(4-isopropylpiperazin-4-ium-1-yl)-3-methyl-benzaldehyde Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O/c1-12(2)16-6-8-17(9-7-16)15-5-4-14(11-18)10-13(15)3/h4-5,10-12H,6-9H2,1-3H3/p+1