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

Systemtic Name: 4-ethoxy-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]benzamide CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-[(4-methyl-1-piperazin-4-iumyl)amino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2S)-3-methyl-1-[(4-methylpiperazin-4-ium-1-yl)amino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S)-2-methyl-1-[(4-methylpiperazin-4-ium-1-yl)carbamoyl]propyl]benzamide Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NN2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NN2CC[NH+](CC2)C

InChI

InChI=1S/C19H30N4O3/c1-5-26-16-8-6-15(7-9-16)18(24)20-17(14(2)3)19(25)21-23-12-10-22(4)11-13-23/h6-9,14,17H,5,10-13H2,1-4H3,(H,20,24)(H,21,25)/p+1/t17-/m0/s1