1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C23H32NO+ MolecularWeight: 338.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)C[NH+]5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)C[NH+]5CCCC5

InChI

InChI=1S/C23H31NO/c1-17-4-6-20(7-5-17)22-11-18-10-19(12-22)14-23(13-18,16-22)21(25)15-24-8-2-3-9-24/h4-7,18-19H,2-3,8-16H2,1H3/p+1/t18-,19+,22?,23?