(3S,4S)-1-(4-methoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-azetidin-2-one

Systemtic Name: (3S,4S)-1-(4-methoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-azetidin-2-one Openeye Name: (3S,4S)-1-(4-methoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-azetidin-2-one CAS Name: (3S,4S)-1-(4-methoxyphenyl)-3-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-phenyl-2-azetidinone IUPAC Name: (3S,4S)-1-(4-methoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenylazetidin-2-one Traditional Name: (3S,4S)-1-(4-methoxyphenyl)-3-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-phenyl-azetidin-2-one Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2C(N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H]2[C@H](N(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2/c1-23-12-14-24(15-13-23)16-20-21(17-6-4-3-5-7-17)25(22(20)26)18-8-10-19(27-2)11-9-18/h3-11,20-21H,12-16H2,1-2H3/p+1/t20-,21+/m0/s1