N-[(2,6-dimethylphenyl)methyl]-6-(1-methylpiperidin-1-ium-1-yl)hexan-1-amine bromide

Systemtic Name: N-[(2,6-dimethylphenyl)methyl]-6-(1-methylpiperidin-1-ium-1-yl)hexan-1-amine bromide Openeye Name: N-[(2,6-dimethylphenyl)methyl]-6-(1-methylpiperidin-1-ium-1-yl)hexan-1-amine bromide CAS Name: N-[(2,6-dimethylphenyl)methyl]-6-(1-methyl-1-piperidin-1-iumyl)-1-hexanamine bromide IUPAC Name: N-[(2,6-dimethylphenyl)methyl]-6-(1-methylpiperidin-1-ium-1-yl)hexan-1-amine bromide Traditional Name: (2,6-dimethylbenzyl)-[6-(1-methylpiperidin-1-ium-1-yl)hexyl]amine bromide Formula: C21H37BrN2 MolecularWeight: 397.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CNCCCCCC[N+]2(CCCCC2)C.[Br-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)CNCCCCCC[N+]2(CCCCC2)C.[Br-]

InChI

InChI=1S/C21H37N2.BrH/c1-19-12-11-13-20(2)21(19)18-22-14-7-4-5-8-15-23(3)16-9-6-10-17-23;/h11-13,22H,4-10,14-18H2,1-3H3;1H/q+1;/p-1