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1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium

1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium

Systemtic Name:1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium
Openeye Name:1-benzyl-1-(2-methylpentyl)azepan-1-ium
CAS Name:1-(2-methylpentyl)-1-(phenylmethyl)azepan-1-ium
IUPAC Name:1-benzyl-1-(2-methylpentyl)azepan-1-ium
Traditional Name:1-benzyl-1-(2-methylpentyl)azepan-1-ium
Formula: C19H32N+
MolecularWeight: 274.46408
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C[N+]1(CCCCCC1)CC2=CC=CC=C2


Isomeric SMILES

CCCC(C)C[N+]1(CCCCCC1)CC2=CC=CC=C2


InChI

InChI=1S/C19H32N/c1-3-11-18(2)16-20(14-9-4-5-10-15-20)17-19-12-7-6-8-13-19/h6-8,12-13,18H,3-5,9-11,14-17H2,1-2H3/q+1


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