(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-[(2R)-2-hydroxypropyl]ammonium Formula: C18H23ClNO3+ MolecularWeight: 336.83312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC)O

InChI

InChI=1S/C18H22ClNO3/c1-13(21)10-20-11-15-8-16(19)18(17(9-15)22-2)23-12-14-6-4-3-5-7-14/h3-9,13,20-21H,10-12H2,1-2H3/p+1/t13-/m1/s1