3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[4-(4-chlorobenzyl)oxybenzyl]ammonio]propyl-diethyl-ammonium Formula: C21H31ClN2O+2 MolecularWeight: 362.93664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H29ClN2O/c1-3-24(4-2)15-5-14-23-16-18-8-12-21(13-9-18)25-17-19-6-10-20(22)11-7-19/h6-13,23H,3-5,14-17H2,1-2H3/p+2