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

Systemtic Name: 3-(diethylamino)-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 3-(diethylamino)-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 3-(diethylamino)-6-[[[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 3-(diethylamino)-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 3-(diethylamino)-6-[[[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=O)C(=CNCC(C2=CC=CS2)[NH+]3CCCC3)C=C1

Isomeric SMILES

CCN(CC)C1=CC(=O)C(=CNC[C@H](C2=CC=CS2)[NH+]3CCCC3)C=C1

InChI

InChI=1S/C21H29N3OS/c1-3-23(4-2)18-10-9-17(20(25)14-18)15-22-16-19(21-8-7-13-26-21)24-11-5-6-12-24/h7-10,13-15,19,22H,3-6,11-12,16H2,1-2H3/p+1/t19-/m1/s1