dimethyl-[2-[4-[4-(phenylmethyl)phenoxy]butylazaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-[4-(phenylmethyl)phenoxy]butylazaniumyl]ethyl]azanium Openeye Name: 2-[4-(4-benzylphenoxy)butylammonio]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[4-[4-(phenylmethyl)phenoxy]butylammonio]ethyl]ammonium IUPAC Name: 2-[4-(4-benzylphenoxy)butylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[4-(4-benzylphenoxy)butylammonio]ethyl-dimethyl-ammonium Formula: C21H32N2O+2 MolecularWeight: 328.49158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CCCCOC1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CC[NH2+]CCCCOC1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O/c1-23(2)16-15-22-14-6-7-17-24-21-12-10-20(11-13-21)18-19-8-4-3-5-9-19/h3-5,8-13,22H,6-7,14-18H2,1-2H3/p+2