4-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]-3-pyrrolyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(N1[C@@H](C)C2=CC=CC=C2)C)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C20H25N3O2/c1-14-11-18(19(24)12-22-10-9-21-20(25)13-22)16(3)23(14)15(2)17-7-5-4-6-8-17/h4-8,11,15H,9-10,12-13H2,1-3H3,(H,21,25)/p+1/t15-/m0/s1