(1-phenethylpiperidin-1-ium-1-yl)-(4-propan-2-ylphenyl)methanone hydrochloride

Systemtic Name: (1-phenethylpiperidin-1-ium-1-yl)-(4-propan-2-ylphenyl)methanone hydrochloride Openeye Name: (4-isopropylphenyl)-(1-phenethylpiperidin-1-ium-1-yl)methanone hydrochloride CAS Name: (1-phenethyl-1-piperidin-1-iumyl)-(4-propan-2-ylphenyl)methanone hydrochloride IUPAC Name: (1-phenethylpiperidin-1-ium-1-yl)-(4-propan-2-ylphenyl)methanone hydrochloride Traditional Name: p-cumenyl-(1-phenethylpiperidin-1-ium-1-yl)methanone hydrochloride Formula: C23H31ClNO+ MolecularWeight: 372.95134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)[N+]2(CCCCC2)CCC3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)[N+]2(CCCCC2)CCC3=CC=CC=C3.Cl

InChI

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