N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(3-keto-1,1-dimethyl-butyl)-3-(4-pyridin-1-ium-2-ylpiperazino)propionamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCN1CCN(CC1)C2=CC=CC=[NH+]2

InChI

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