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

Systemtic Name: 3-butoxypropyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[2-(4-chlorobenzyl)oxy-3-methoxy-benzyl]ammonium Formula: C22H31ClNO3+ MolecularWeight: 392.93944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=C(C(=CC=C1)OC)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOCCC[NH2+]CC1=C(C(=CC=C1)OC)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H30ClNO3/c1-3-4-14-26-15-6-13-24-16-19-7-5-8-21(25-2)22(19)27-17-18-9-11-20(23)12-10-18/h5,7-12,24H,3-4,6,13-17H2,1-2H3/p+1