1-adamantyl-[2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[[(S)-(4-methoxyphenyl)-phenyl-methyl]amino]ethyl]ammonium Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N2O2/c1-30-23-9-7-22(8-10-23)25(21-5-3-2-4-6-21)28-24(29)17-27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-10,18-20,25,27H,11-17H2,1H3,(H,28,29)/p+1/t18?,19?,20?,25-,26?/m0/s1