3-bromanyl-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-propoxy-benzamide Openeye Name: 3-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-propoxybenzamide Traditional Name: 3-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-propoxy-benzamide Formula: C23H31BrN3O3+ MolecularWeight: 477.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H30BrN3O3/c1-3-15-30-22-20(24)16-18(17-21(22)29-2)23(28)25-9-10-26-11-13-27(14-12-26)19-7-5-4-6-8-19/h4-8,16-17H,3,9-15H2,1-2H3,(H,25,28)/p+1