4-tert-butyl-N-[(2S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-2-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]amino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]amino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-2-methyl-1-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]carbamoyl]propyl]benzamide Formula: C26H38N5O2+ MolecularWeight: 452.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H37N5O2/c1-18(2)23(29-24(32)19-7-9-20(10-8-19)26(3,4)5)25(33)28-21-11-12-22(27-17-21)31-15-13-30(6)14-16-31/h7-12,17-18,23H,13-16H2,1-6H3,(H,28,33)(H,29,32)/p+1/t23-/m0/s1