1-phenethyl-2-(4-propan-2-ylphenyl)piperidin-1-ium-1-carbaldehyde

Systemtic Name: 1-phenethyl-2-(4-propan-2-ylphenyl)piperidin-1-ium-1-carbaldehyde Openeye Name: 2-(4-isopropylphenyl)-1-phenethyl-piperidin-1-ium-1-carbaldehyde CAS Name: 1-phenethyl-2-(4-propan-2-ylphenyl)-1-piperidin-1-iumcarboxaldehyde IUPAC Name: 1-phenethyl-2-(4-propan-2-ylphenyl)piperidin-1-ium-1-carbaldehyde Traditional Name: 2-p-cumenyl-1-phenethyl-piperidin-1-ium-1-carbaldehyde Formula: C23H30NO+ MolecularWeight: 336.4904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2CCCC[N+]2(CCC3=CC=CC=C3)C=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2CCCC[N+]2(CCC3=CC=CC=C3)C=O

InChI

InChI=1S/C23H30NO/c1-19(2)21-11-13-22(14-12-21)23-10-6-7-16-24(23,18-25)17-15-20-8-4-3-5-9-20/h3-5,8-9,11-14,18-19,23H,6-7,10,15-17H2,1-2H3/q+1