4-[1-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide; methane

Systemtic Name: 4-[1-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide; methane Openeye Name: 4-[1-(2-amino-2-oxo-ethyl)pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide; methane CAS Name: 4-[1-(2-amino-2-oxoethyl)-1-pyrrolidin-1-iumyl]-N-(2,6-dimethylphenyl)benzamide; methane IUPAC Name: 4-[1-(2-amino-2-oxoethyl)pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide; methane Traditional Name: 4-[1-(2-amino-2-keto-ethyl)pyrrolidin-1-ium-1-yl]-N-(2,6-dimethylphenyl)benzamide; methane Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)[N+]3(CCCC3)CC(=O)N

Isomeric SMILES

C.CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)[N+]3(CCCC3)CC(=O)N

InChI

InChI=1S/C21H25N3O2.CH4/c1-15-6-5-7-16(2)20(15)23-21(26)17-8-10-18(11-9-17)24(14-19(22)25)12-3-4-13-24;/h5-11H,3-4,12-14H2,1-2H3,(H2-,22,23,25,26);1H4/p+1