N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]adamantane-1-carboxamide Formula: C26H41N4O+ MolecularWeight: 425.62994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C26H40N4O/c1-28(2)23-6-4-22(5-7-23)24(30-10-8-29(3)9-11-30)18-27-25(31)26-15-19-12-20(16-26)14-21(13-19)17-26/h4-7,19-21,24H,8-18H2,1-3H3,(H,27,31)/p+1/t19?,20?,21?,24-,26?/m1/s1