N-tert-butyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: N-tert-butyl-5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: N-tert-butyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: N-tert-butyl-5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: N-tert-butyl-5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: N-tert-butyl-5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CCCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)(C)NC(=O)CCCC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C18H28N4O2/c1-18(2,3)20-16(23)8-6-9-17(24)22-13-11-21(12-14-22)15-7-4-5-10-19-15/h4-5,7,10H,6,8-9,11-14H2,1-3H3,(H,20,23)/p+1