4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2,5-dimethyl-benzaldehyde

Systemtic Name: 4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2,5-dimethyl-benzaldehyde Openeye Name: 2,5-dimethyl-4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]benzaldehyde CAS Name: 4-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-2,5-dimethylbenzaldehyde IUPAC Name: 4-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2,5-dimethylbenzaldehyde Traditional Name: 2,5-dimethyl-4-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]benzaldehyde Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-5-15(4)18-6-8-19(9-7-18)17-11-13(2)16(12-20)10-14(17)3/h10-12,15H,5-9H2,1-4H3/p+1/t15-/m0/s1