3-butoxypropyl-[[3-chloranyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 3-butoxypropyl-[[3-chloranyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-chloro-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-chloro-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C23H33ClNO3+ MolecularWeight: 406.96602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClNO3/c1-4-5-12-27-13-6-11-25-16-20-14-21(24)23(22(15-20)26-3)28-17-19-9-7-18(2)8-10-19/h7-10,14-15,25H,4-6,11-13,16-17H2,1-3H3/p+1