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

Systemtic Name: 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5S,7R)-3-phenyl-1-adamantyl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C22H30NO+ MolecularWeight: 324.4797

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=CC=C5

InChI

InChI=1S/C22H29NO/c24-20(15-23-8-4-5-9-23)22-13-17-10-18(14-22)12-21(11-17,16-22)19-6-2-1-3-7-19/h1-3,6-7,17-18H,4-5,8-16H2/p+1/t17-,18+,21?,22?