[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-(1-adamantylcarbamoylamino)-2-keto-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

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