N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-4-phenyl-oxane-4-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]-4-phenyl-oxane-4-carboxamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-4-phenyl-tetrahydropyran-4-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-phenyl-4-oxanecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-4-phenyloxane-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-4-phenyl-tetrahydropyran-4-carboxamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3(CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3(CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c1-26-13-15-27(16-14-26)22(28)19-7-9-21(10-8-19)25-23(29)24(11-17-30-18-12-24)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,25,29)/p+1