N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-2-thienyl]benzamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3OS/c1-18-19(2)29-24(25-23(28)20-9-5-3-6-10-20)22(18)17-26-13-15-27(16-14-26)21-11-7-4-8-12-21/h3-12H,13-17H2,1-2H3,(H,25,28)/p+1