(1S)-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenyl-ethanol

Systemtic Name: (1S)-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenyl-ethanol Openeye Name: (1S)-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenyl-ethanol CAS Name: (1S)-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenylethanol IUPAC Name: (1S)-2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenylethanol Traditional Name: (1S)-2-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)-1-phenyl-ethanol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)CC(C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C[C@H](C3=CC=CC=C3)O

InChI

InChI=1S/C21H28N2O2/c1-25-20-10-8-18(9-11-20)16-22-12-5-13-23(15-14-22)17-21(24)19-6-3-2-4-7-19/h2-4,6-11,21,24H,5,12-17H2,1H3/p+1/t21-/m1/s1