methyl-[4-[4-[4-[methyl-(phenylmethyl)azaniumyl]butanoyl]phenyl]-4-oxidanylidene-butyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[4-[4-[4-[methyl-(phenylmethyl)azaniumyl]butanoyl]phenyl]-4-oxidanylidene-butyl]-(phenylmethyl)azanium Openeye Name: benzyl-[4-[4-[4-[benzyl(methyl)ammonio]butanoyl]phenyl]-4-oxo-butyl]-methyl-ammonium CAS Name: methyl-[4-[4-[4-[methyl-(phenylmethyl)ammonio]-1-oxobutyl]phenyl]-4-oxobutyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-[4-[4-[benzyl(methyl)azaniumyl]butanoyl]phenyl]-4-oxobutyl]-methylazanium Traditional Name: benzyl-[4-[4-[4-[benzyl(methyl)ammonio]butanoyl]phenyl]-4-keto-butyl]-methyl-ammonium Formula: C30H38N2O2+2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCC(=O)C1=CC=C(C=C1)C(=O)CCC[NH+](C)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCC(=O)C1=CC=C(C=C1)C(=O)CCC[NH+](C)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O2/c1-31(23-25-11-5-3-6-12-25)21-9-15-29(33)27-17-19-28(20-18-27)30(34)16-10-22-32(2)24-26-13-7-4-8-14-26/h3-8,11-14,17-20H,9-10,15-16,21-24H2,1-2H3/p+2