N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-3-yl-phenoxy]ethanamide

Systemtic Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-3-yl-phenoxy]ethanamide Openeye Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(3-thienyl)phenoxy]acetamide CAS Name: N-[(1,3-dimethyl-4-pyrazolyl)methyl]-2-[2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-(3-thiophenyl)phenoxy]acetamide IUPAC Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-thiophen-3-ylphenoxy]acetamide Traditional Name: N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-[(4-phenylpiperazin-1-ium-1-yl)methyl]-4-(3-thienyl)phenoxy]acetamide Formula: C29H34N5O2S+ MolecularWeight: 516.67756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)COC2=C(C=C(C=C2)C3=CSC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)COC2=C(C=C(C=C2)C3=CSC=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H33N5O2S/c1-22-26(18-32(2)31-22)17-30-29(35)20-36-28-9-8-23(24-10-15-37-21-24)16-25(28)19-33-11-13-34(14-12-33)27-6-4-3-5-7-27/h3-10,15-16,18,21H,11-14,17,19-20H2,1-2H3,(H,30,35)/p+1