1-(1-adamantylcarbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-(1-adamantylcarbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-(adamantane-1-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[1-adamantyl(oxo)methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(adamantane-1-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-(adamantane-1-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H35N3O2/c26-20-3-6-25(10-9-24(20)8-7-23-4-1-2-5-23)21(27)22-14-17-11-18(15-22)13-19(12-17)16-22/h17-19H,1-16H2/p+1