[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-(thiophen-2-ylmethylidene)azanium

Systemtic Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-(thiophen-2-ylmethylidene)azanium Openeye Name: [(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl-(2-thienylmethylene)ammonium CAS Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-(thiophen-2-ylmethylidene)ammonium IUPAC Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-(thiophen-2-ylmethylidene)azanium Traditional Name: [(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl-(2-thenylidene)ammonium Formula: C23H28NS+ MolecularWeight: 350.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C[NH+]=CC5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C[NH+]=CC5=CC=CS5

InChI

InChI=1S/C23H27NS/c1-17-4-6-20(7-5-17)23-12-18-9-19(13-23)11-22(10-18,15-23)16-24-14-21-3-2-8-25-21/h2-8,14,18-19H,9-13,15-16H2,1H3/p+1/t18-,19+,22?,23?