2-methyl-1-phenyl-3-(1-propylpiperidin-1-ium-1-yl)propan-1-one

Systemtic Name: 2-methyl-1-phenyl-3-(1-propylpiperidin-1-ium-1-yl)propan-1-one Openeye Name: 2-methyl-1-phenyl-3-(1-propylpiperidin-1-ium-1-yl)propan-1-one CAS Name: 2-methyl-1-phenyl-3-(1-propyl-1-piperidin-1-iumyl)-1-propanone IUPAC Name: 2-methyl-1-phenyl-3-(1-propylpiperidin-1-ium-1-yl)propan-1-one Traditional Name: 2-methyl-1-phenyl-3-(1-propylpiperidin-1-ium-1-yl)propan-1-one Formula: C18H28NO+ MolecularWeight: 274.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCCCC1)CC(C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCC[N+]1(CCCCC1)CC(C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28NO/c1-3-12-19(13-8-5-9-14-19)15-16(2)18(20)17-10-6-4-7-11-17/h4,6-7,10-11,16H,3,5,8-9,12-15H2,1-2H3/q+1