[2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]-dipropyl-azanium

Systemtic Name: [2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxidanylidene-ethyl]-dipropyl-azanium Openeye Name: [2-oxo-2-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethyl]-dipropyl-ammonium CAS Name: [2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]-dipropylammonium IUPAC Name: [2-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-oxoethyl]-dipropylazanium Traditional Name: [2-keto-2-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethyl]-dipropyl-ammonium Formula: C25H38NO+ MolecularWeight: 368.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

Isomeric SMILES

CCC[NH+](CCC)CC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H37NO/c1-4-10-26(11-5-2)17-23(27)25-15-20-12-21(16-25)14-24(13-20,18-25)22-8-6-19(3)7-9-22/h6-9,20-21H,4-5,10-18H2,1-3H3/p+1/t20-,21+,24?,25?