(3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-1-(2-thenoyl)nipecotamide Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CS4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=CS4)C

InChI

InChI=1S/C24H32N4O2S/c1-3-26-11-13-27(14-12-26)20-8-9-21(18(2)16-20)25-23(29)19-6-4-10-28(17-19)24(30)22-7-5-15-31-22/h5,7-9,15-16,19H,3-4,6,10-14,17H2,1-2H3,(H,25,29)/p+1/t19-/m0/s1