4-tert-butyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-3-methyl-1-oxo-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-2-methyl-1-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)propyl]benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H34N4O2/c1-18(2)22(27-23(30)19-6-8-20(9-7-19)25(3,4)5)24(31)29-16-14-28(15-17-29)21-10-12-26-13-11-21/h6-13,18,22H,14-17H2,1-5H3,(H,27,30)/p+1/t22-/m0/s1