N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C23H30BrN2O3+ MolecularWeight: 462.3999

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)Br)OC

InChI

InChI=1S/C23H29BrN2O3/c1-28-21-14-19(20(24)15-22(21)29-2)10-11-25-23(27)18-8-6-17(7-9-18)16-26-12-4-3-5-13-26/h6-9,14-15H,3-5,10-13,16H2,1-2H3,(H,25,27)/p+1