diethyl-(phenylmethyl)-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium

Systemtic Name: diethyl-(phenylmethyl)-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium Openeye Name: benzyl-diethyl-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]ammonium CAS Name: diethyl-(phenylmethyl)-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]ammonium IUPAC Name: benzyl-diethyl-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]azanium Traditional Name: benzyl-diethyl-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]ammonium Formula: C27H42NO+ MolecularWeight: 396.62848

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC[N+](CC)(CCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C27H42NO/c1-8-28(9-2,21-23-13-11-10-12-14-23)19-20-29-25-17-15-24(16-18-25)27(6,7)22-26(3,4)5/h10-18H,8-9,19-22H2,1-7H3/q+1