[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methanone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H31N3O2/c1-16(2)26-17(3)13-21(18(26)4)23(27)25-10-8-24(9-11-25)15-19-5-6-22-20(14-19)7-12-28-22/h5-6,13-14,16H,7-12,15H2,1-4H3/p+1