3-ethylheptyl-(2-methylpentyl)-phenyl-azanium

Systemtic Name: 3-ethylheptyl-(2-methylpentyl)-phenyl-azanium Openeye Name: 3-ethylheptyl-(2-methylpentyl)-phenyl-ammonium CAS Name: 3-ethylheptyl-(2-methylpentyl)-phenylammonium IUPAC Name: 3-ethylheptyl-(2-methylpentyl)-phenylazanium Traditional Name: 3-ethylheptyl-(2-methylpentyl)-phenyl-ammonium Formula: C21H38N+ MolecularWeight: 304.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC[NH+](CC(C)CCC)C1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)CC[NH+](CC(C)CCC)C1=CC=CC=C1

InChI

InChI=1S/C21H37N/c1-5-8-13-20(7-3)16-17-22(18-19(4)12-6-2)21-14-10-9-11-15-21/h9-11,14-15,19-20H,5-8,12-13,16-18H2,1-4H3/p+1