(4-butan-2-ylphenyl)methyl-methyl-bis[3-(trimethylazaniumyl)propyl]azanium

Systemtic Name: (4-butan-2-ylphenyl)methyl-methyl-bis[3-(trimethylazaniumyl)propyl]azanium Openeye Name: trimethyl-[3-[methyl-[(4-sec-butylphenyl)methyl]-[3-(trimethylammonio)propyl]ammonio]propyl]ammonium CAS Name: (4-butan-2-ylphenyl)methyl-methyl-bis[3-(trimethylammonio)propyl]ammonium IUPAC Name: (4-butan-2-ylphenyl)methyl-methyl-bis[3-(trimethylazaniumyl)propyl]azanium Traditional Name: trimethyl-[3-[methyl-(4-sec-butylbenzyl)-[3-(trimethylammonio)propyl]ammonio]propyl]ammonium Formula: C24H48N3+3 MolecularWeight: 378.65802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C[N+](C)(CCC[N+](C)(C)C)CCC[N+](C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C[N+](C)(CCC[N+](C)(C)C)CCC[N+](C)(C)C

InChI

InChI=1S/C24H48N3/c1-10-22(2)24-15-13-23(14-16-24)21-27(9,19-11-17-25(3,4)5)20-12-18-26(6,7)8/h13-16,22H,10-12,17-21H2,1-9H3/q+3