[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [(2R)-2,3-dihydrobenzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [(2R)-coumaran-2-yl]-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4O3

InChI

InChI=1S/C23H28N2O2/c1-17(2)19-9-7-18(8-10-19)16-24-11-13-25(14-12-24)23(26)22-15-20-5-3-4-6-21(20)27-22/h3-10,17,22H,11-16H2,1-2H3/p+1/t22-/m1/s1