N-[4-(5-butyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(5-butyl-2-methoxy-phenyl)-1,3-thiazol-2-yl]-1-(1-oxidanidylpyridin-1-ium-2-yl)carbonyl-piperidine-3-carboxamide Openeye Name: N-[4-(5-butyl-2-methoxy-phenyl)thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-(5-butyl-2-methoxyphenyl)-2-thiazolyl]-1-[(1-oxido-2-pyridin-1-iumyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(5-butyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(5-butyl-2-methoxy-phenyl)thiazol-2-yl]-1-(1-oxidopyridin-1-ium-2-carbonyl)nipecotamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C26H30N4O4S/c1-3-4-8-18-11-12-23(34-2)20(15-18)21-17-35-26(27-21)28-24(31)19-9-7-13-29(16-19)25(32)22-10-5-6-14-30(22)33/h5-6,10-12,14-15,17,19H,3-4,7-9,13,16H2,1-2H3,(H,27,28,31)