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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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