[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O/c1-17(21-6-3-2-4-7-21)25-16-22(27)26(9-5-8-24)23-13-18-10-19(14-23)12-20(11-18)15-23/h2-4,6-7,17-20,25H,5,9-16H2,1H3/p+1/t17-,18?,19?,20?,23?/m1/s1