3-(diethylamino)-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 3-(diethylamino)-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[[(2S)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[[[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNCC(C2=CC=CC=C2)[NH+]3CCCC3)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNC[C@H](C2=CC=CC=C2)[NH+]3CCCC3)C=C1

InChI

InChI=1S/C23H31N3O/c1-3-25(4-2)21-13-12-20(23(27)16-21)17-24-18-22(26-14-8-9-15-26)19-10-6-5-7-11-19/h5-7,10-13,16-17,22,24H,3-4,8-9,14-15,18H2,1-2H3/p+1/t22-/m1/s1