1-[(2,5-dimethylphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(2,5-dimethylphenyl)methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-(2,5-dimethylbenzyl)piperidin-1-ium Formula: C21H28N+ MolecularWeight: 294.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N/c1-17-8-9-18(2)21(14-17)16-22-12-10-20(11-13-22)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3/p+1