2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]acetamide Formula: C25H37BrN3O+ MolecularWeight: 475.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br)C

InChI

InChI=1S/C25H36BrN3O/c1-3-28-6-8-29(9-7-28)22-5-4-21(10-18(22)2)27-23(30)16-24-12-19-11-20(13-24)15-25(26,14-19)17-24/h4-5,10,19-20H,3,6-9,11-17H2,1-2H3,(H,27,30)/p+1/t19-,20+,24?,25?