4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-azanium

Systemtic Name: 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-azanium Openeye Name: 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-ammonium CAS Name: 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propylammonium IUPAC Name: 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propylazanium Traditional Name: 4-(3-ethylphenyl)butyl-hexyl-(3-methylheptyl)-propyl-ammonium Formula: C29H54N+ MolecularWeight: 416.74576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCC)(CCCCC1=CC=CC(=C1)CC)CCC(C)CCCC

Isomeric SMILES

CCCCCC[N+](CCC)(CCCCC1=CC=CC(=C1)CC)CCC(C)CCCC

InChI

InChI=1S/C29H54N/c1-6-10-12-14-23-30(22-8-3,25-21-27(5)17-11-7-2)24-15-13-18-29-20-16-19-28(9-4)26-29/h16,19-20,26-27H,6-15,17-18,21-25H2,1-5H3/q+1