(5S,7R)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(4-methylphenyl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(4-methylphenyl)adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(p-tolyl)adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-(4-methylphenyl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(4-methylphenyl)adamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-(p-tolyl)adamantane-1-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NN5CC[NH+](CC5)CCO

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NN5CC[NH+](CC5)CCO

InChI

InChI=1S/C24H35N3O2/c1-18-2-4-21(5-3-18)23-13-19-12-20(14-23)16-24(15-19,17-23)22(29)25-27-8-6-26(7-9-27)10-11-28/h2-5,19-20,28H,6-17H2,1H3,(H,25,29)/p+1/t19-,20+,23?,24?