N-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-propyl-5-benzimidazolyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-propylbenzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-propyl-benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C25H32N5O4+ MolecularWeight: 466.55268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1C[NH+]4CCC(CC4)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-])N=C1C[NH+]4CCC(CC4)C

InChI

InChI=1S/C25H31N5O4/c1-3-12-29-23-9-4-19(15-22(23)27-24(29)16-28-13-10-18(2)11-14-28)26-25(31)17-34-21-7-5-20(6-8-21)30(32)33/h4-9,15,18H,3,10-14,16-17H2,1-2H3,(H,26,31)/p+1