cyclopentyl-[[3-methoxy-4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]methyl]azanium

Systemtic Name: cyclopentyl-[[3-methoxy-4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]methyl]azanium Openeye Name: cyclopentyl-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclopentyl-[[4-[(2S)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclopentyl-[[4-[(2S)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclopentyl-[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]-3-methoxy-benzyl]ammonium Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCC2)OCC(C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCC2)OC[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO3/c1-24-21-13-16(14-22-18-9-5-6-10-18)11-12-20(21)25-15-19(23)17-7-3-2-4-8-17/h2-4,7-8,11-13,18-19,22-23H,5-6,9-10,14-15H2,1H3/p+1/t19-/m1/s1