3-butoxypropyl-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 3-butoxypropyl-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-chloro-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: 3-butoxypropyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 3-butoxypropyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-chloro-benzyl)-(3-butoxypropyl)ammonium Formula: C21H29ClNO2+ MolecularWeight: 362.91346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO2/c1-2-3-13-24-14-7-12-23-16-19-10-11-21(20(22)15-19)25-17-18-8-5-4-6-9-18/h4-6,8-11,15,23H,2-3,7,12-14,16-17H2,1H3/p+1