1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[N+]4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C[N+]4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C20H27N3O2/c1-13(20-8-14-5-15(9-20)7-16(6-14)10-20)22-18(24)12-23-4-2-3-17(11-23)19(21)25/h2-4,11,13-16H,5-10,12H2,1H3,(H2-,21,22,24,25)/p+1/t13-,14?,15?,16?,20?/m1/s1