[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-ethyl-(2-thienylmethyl)ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-ethyl-(2-thenyl)ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29N3O2S/c1-2-23(12-17-4-3-5-26-17)13-18(24)21-19(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,14-16H,2,6-13H2,1H3,(H2,21,22,24,25)/p+1