[3-[[(2S)-7-chloranyl-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-3-oxidanylidene-propyl]-diethyl-azanium

Systemtic Name: [3-[[(2S)-7-chloranyl-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-3-oxidanylidene-propyl]-diethyl-azanium Openeye Name: [3-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methylamino]-3-oxo-propyl]-diethyl-ammonium CAS Name: [3-[[(2S)-7-chloro-5-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-3-oxopropyl]-diethylammonium IUPAC Name: [3-[[(2S)-7-chloro-5-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methylamino]-3-oxopropyl]-diethylazanium Traditional Name: [3-[[(2S)-7-chloro-5-pyrazin-2-yl-coumaran-2-yl]methylamino]-3-keto-propyl]-diethyl-ammonium Formula: C20H26ClN4O2+ MolecularWeight: 389.89904

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=NC=CN=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCC(=O)NC[C@@H]1CC2=C(O1)C(=CC(=C2)C3=NC=CN=C3)Cl

InChI

InChI=1S/C20H25ClN4O2/c1-3-25(4-2)8-5-19(26)24-12-16-10-15-9-14(11-17(21)20(15)27-16)18-13-22-6-7-23-18/h6-7,9,11,13,16H,3-5,8,10,12H2,1-2H3,(H,24,26)/p+1/t16-/m0/s1