[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(4-ethoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]-(4-ethoxybenzyl)-methyl-ammonium Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+](C)[C@@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H35N3O3/c1-4-30-21-7-5-17(6-8-21)15-27(3)16(2)22(28)25-23(29)26-24-12-18-9-19(13-24)11-20(10-18)14-24/h5-8,16,18-20H,4,9-15H2,1-3H3,(H2,25,26,28,29)/p+1/t16-,18?,19?,20?,24?/m0/s1