4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 4-methyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 4-methyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-3-nitro-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: N-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]-4-methyl-3-nitro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C20H26N5O5+ MolecularWeight: 416.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC[NH+]2CCCC2)CC(=O)NC3=NOC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-14-5-6-16(12-17(14)25(28)29)20(27)24(10-9-23-7-3-4-8-23)13-19(26)21-18-11-15(2)30-22-18/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H,21,22,26)/p+1