(3,4-dimethylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(4-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone Formula: C21H26NO+ MolecularWeight: 308.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CC3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CC3CC[NH2+]CC3)C

InChI

InChI=1S/C21H25NO/c1-15-3-6-20(13-16(15)2)21(23)19-7-4-17(5-8-19)14-18-9-11-22-12-10-18/h3-8,13,18,22H,9-12,14H2,1-2H3/p+1