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1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone
1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=CC(=C(C=C4)OC)F
Isomeric SMILES
CC1=CC(=C(N1C2CC2)C)C(=O)C[NH+]3CCN(CC3)CC4=CC(=C(C=C4)OC)F
InChI
InChI=1S/C23H30FN3O2/c1-16-12-20(17(2)27(16)19-5-6-19)22(28)15-26-10-8-25(9-11-26)14-18-4-7-23(29-3)21(24)13-18/h4,7,12-13,19H,5-6,8-11,14-15H2,1-3H3/p+1
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