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

Systemtic Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[(4-methyl-1-piperazin-4-iumyl)amino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]benzamide Formula: C21H35N4O2+ MolecularWeight: 375.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1CC[NH+](CC1)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1CC[NH+](CC1)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H34N4O2/c1-15(2)18(20(27)23-25-13-11-24(6)12-14-25)22-19(26)16-7-9-17(10-8-16)21(3,4)5/h7-10,15,18H,11-14H2,1-6H3,(H,22,26)(H,23,27)/p+1/t18-/m0/s1