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

Systemtic Name: 1-naphthalen-1-ylcarbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-(naphthalene-1-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[1-naphthalenyl(oxo)methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(naphthalene-1-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-(1-naphthoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O2/c26-21-10-13-25(17-16-24(21)15-14-23-11-3-4-12-23)22(27)20-9-5-7-18-6-1-2-8-19(18)20/h1-2,5-9H,3-4,10-17H2/p+1