[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl-(3-propan-2-yloxypropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCCOC(C)C)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCCOC(C)C)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H30ClNO3/c1-4-25-22-14-19(15-24-12-5-13-26-17(2)3)8-11-21(22)27-16-18-6-9-20(23)10-7-18/h6-11,14,17,24H,4-5,12-13,15-16H2,1-3H3/p+1