N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C23H29N3O4/c1-16-8-13-21(26(28)29)23(17(16)2)24-22(27)15-25-14-6-4-5-7-20(25)18-9-11-19(30-3)12-10-18/h8-13,20H,4-7,14-15H2,1-3H3,(H,24,27)/p+1/t20-/m1/s1