(phenylmethyl) N-[3-methyl-1-oxidanylidene-1-[2-(2-pyridin-1-ium-1-ylethanoyl)pyrrolidin-1-yl]butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-methyl-1-oxidanylidene-1-[2-(2-pyridin-1-ium-1-ylethanoyl)pyrrolidin-1-yl]butan-2-yl]carbamate Openeye Name: benzyl N-[2-methyl-1-[2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidine-1-carbonyl]propyl]carbamate CAS Name: N-[3-methyl-1-oxo-1-[2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-pyrrolidinyl]butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-methyl-1-oxo-1-[2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidin-1-yl]butan-2-yl]carbamate Traditional Name: N-[2-methyl-1-[2-(2-pyridin-1-ium-1-ylacetyl)pyrrolidine-1-carbonyl]propyl]carbamic acid benzyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)C[N+]2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)C[N+]2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4/c1-18(2)22(25-24(30)31-17-19-10-5-3-6-11-19)23(29)27-15-9-12-20(27)21(28)16-26-13-7-4-8-14-26/h3-8,10-11,13-14,18,20,22H,9,12,15-17H2,1-2H3/p+1