[3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-(2-cyanoethyl)-(2-methylpropyl)azanium

Systemtic Name: [3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-(2-cyanoethyl)-(2-methylpropyl)azanium Openeye Name: [3-(1-adamantylcarbamoylamino)-3-oxo-propyl]-(2-cyanoethyl)-isobutyl-ammonium CAS Name: [3-[[(1-adamantylamino)-oxomethyl]amino]-3-oxopropyl]-(2-cyanoethyl)-(2-methylpropyl)ammonium IUPAC Name: [3-(1-adamantylcarbamoylamino)-3-oxopropyl]-(2-cyanoethyl)-(2-methylpropyl)azanium Traditional Name: [3-(1-adamantylcarbamoylamino)-3-keto-propyl]-(2-cyanoethyl)-isobutyl-ammonium Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O2/c1-15(2)14-25(6-3-5-22)7-4-19(26)23-20(27)24-21-11-16-8-17(12-21)10-18(9-16)13-21/h15-18H,3-4,6-14H2,1-2H3,(H2,23,24,26,27)/p+1