(2S)-1-(4-methoxyphenyl)-3-(1-methylazepan-1-ium-1-yl)-2-phenyl-propan-1-one

Systemtic Name: (2S)-1-(4-methoxyphenyl)-3-(1-methylazepan-1-ium-1-yl)-2-phenyl-propan-1-one Openeye Name: (2S)-1-(4-methoxyphenyl)-3-(1-methylazepan-1-ium-1-yl)-2-phenyl-propan-1-one CAS Name: (2S)-1-(4-methoxyphenyl)-3-(1-methyl-1-azepan-1-iumyl)-2-phenyl-1-propanone IUPAC Name: (2S)-1-(4-methoxyphenyl)-3-(1-methylazepan-1-ium-1-yl)-2-phenylpropan-1-one Traditional Name: (2S)-1-(4-methoxyphenyl)-3-(1-methylazepan-1-ium-1-yl)-2-phenyl-propan-1-one Formula: C23H30NO2+ MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CC(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[N+]1(CCCCCC1)C[C@H](C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30NO2/c1-24(16-8-3-4-9-17-24)18-22(19-10-6-5-7-11-19)23(25)20-12-14-21(26-2)15-13-20/h5-7,10-15,22H,3-4,8-9,16-18H2,1-2H3/q+1/t22-/m1/s1