(2R)-1-(1-adamantylcarbonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1-adamantylcarbonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(adamantane-1-carbonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(adamantane-1-carbonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(adamantane-1-carbonyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-2-carboxamide Formula: C27H39N4O2+ MolecularWeight: 451.62416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CCCN3C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H38N4O2/c1-29-9-11-30(12-10-29)23-6-4-22(5-7-23)28-25(32)24-3-2-8-31(24)26(33)27-16-19-13-20(17-27)15-21(14-19)18-27/h4-7,19-21,24H,2-3,8-18H2,1H3,(H,28,32)/p+1/t19?,20?,21?,24-,27?/m1/s1