4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde

Systemtic Name: 4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-3-methyl-benzaldehyde Openeye Name: 3-methyl-4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 4-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-3-methylbenzaldehyde IUPAC Name: 4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-3-methylbenzaldehyde Traditional Name: 3-methyl-4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=O)C

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=O)C

InChI

InChI=1S/C16H24N2O/c1-4-14(3)17-7-9-18(10-8-17)16-6-5-15(12-19)11-13(16)2/h5-6,11-12,14H,4,7-10H2,1-3H3/p+1/t14-/m0/s1