N-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]adamantane-1-carboxamide CAS Name: N-[(1S,2R)-1-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(1S,2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]adamantane-1-carboxamide Formula: C25H38N3O+ MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)N2CC[NH+](CC2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)N2CC[NH+](CC2)C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O/c1-18(23(22-6-4-3-5-7-22)28-10-8-27(2)9-11-28)26-24(29)25-15-19-12-20(16-25)14-21(13-19)17-25/h3-7,18-21,23H,8-17H2,1-2H3,(H,26,29)/p+1/t18-,19?,20?,21?,23-,25?/m1/s1