1-adamantyl-[2-[[4-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[4-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[4-[(1R)-1-methylpropyl]anilino]ethyl]ammonium Formula: C22H33N2O+ MolecularWeight: 341.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O/c1-3-15(2)19-4-6-20(7-5-19)24-21(25)14-23-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,15-18,23H,3,8-14H2,1-2H3,(H,24,25)/p+1/t15-,16?,17?,18?,22?/m1/s1