[3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-(1-adamantylcarbamoylamino)-3-oxo-propyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [3-[[(1-adamantylamino)-oxomethyl]amino]-3-oxopropyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-(1-adamantylcarbamoylamino)-3-oxopropyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-(1-adamantylcarbamoylamino)-3-keto-propyl]-methyl-(2-thenyl)ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)CC4=CC=CS4

Isomeric SMILES

C[NH+](CCC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)CC4=CC=CS4

InChI

InChI=1S/C20H29N3O2S/c1-23(13-17-3-2-6-26-17)5-4-18(24)21-19(25)22-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-3,6,14-16H,4-5,7-13H2,1H3,(H2,21,22,24,25)/p+1