[(1S)-2-oxidanylidene-1-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: [(1S)-2-oxo-1-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-1-phenylethyl]azanium Traditional Name: [(1S)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-phenyl-ethyl]ammonium Formula: C19H25N3O+2 MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H](C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C19H23N3O/c20-18(17-9-5-2-6-10-17)19(23)22-13-11-21(12-14-22)15-16-7-3-1-4-8-16/h1-10,18H,11-15,20H2/p+2/t18-/m0/s1