3-butoxypropyl-[[3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-chloro-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]ammonium Formula: C23H32Cl2NO3+ MolecularWeight: 441.41108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2Cl)OCC

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2Cl)OCC

InChI

InChI=1S/C23H31Cl2NO3/c1-3-5-12-27-13-8-11-26-16-18-14-21(25)23(22(15-18)28-4-2)29-17-19-9-6-7-10-20(19)24/h6-7,9-10,14-15,26H,3-5,8,11-13,16-17H2,1-2H3/p+1