4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-2-29-20-9-8-17(14-19(20)24(26)27)21(25)22-18(16-6-4-3-5-7-16)15-23-10-12-28-13-11-23/h3-9,14,18H,2,10-13,15H2,1H3,(H,22,25)/p+1/t18-/m1/s1