4-methyl-N-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-[(5S,7R)-3-(p-tolyl)-1-adamantyl]piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-methyl-N-[(5S,7R)-3-(p-tolyl)-1-adamantyl]piperazin-4-ium-1-carboxamide Formula: C23H34N3O+ MolecularWeight: 368.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)NC(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C23H33N3O/c1-17-3-5-20(6-4-17)22-12-18-11-19(13-22)15-23(14-18,16-22)24-21(27)26-9-7-25(2)8-10-26/h3-6,18-19H,7-16H2,1-2H3,(H,24,27)/p+1/t18-,19+,22?,23?