N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenoxy)acetamide Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCCC3

InChI

InChI=1S/C23H29N3O5/c1-30-20-10-6-18(7-11-20)22(25-14-4-2-3-5-15-25)16-24-23(27)17-31-21-12-8-19(9-13-21)26(28)29/h6-13,22H,2-5,14-17H2,1H3,(H,24,27)/p+1/t22-/m0/s1