2-dimethylaminoethyl-[4-[4-(phenylmethyl)phenoxy]butyl]azanium

Systemtic Name: 2-dimethylaminoethyl-[4-[4-(phenylmethyl)phenoxy]butyl]azanium Openeye Name: 4-(4-benzylphenoxy)butyl-(2-dimethylaminoethyl)ammonium CAS Name: 2-dimethylaminoethyl-[4-[4-(phenylmethyl)phenoxy]butyl]ammonium IUPAC Name: 4-(4-benzylphenoxy)butyl-(2-dimethylaminoethyl)azanium Traditional Name: 4-(4-benzylphenoxy)butyl-(2-dimethylaminoethyl)ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(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+1