N-[(2S)-4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-4-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-4-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-3-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-1-methyl-3-oxo-propyl]benzamide CAS Name: N-[(2S)-4-[[4-[(4-ethyl-1-piperazin-4-iumyl)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-4-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]methylamino]-4-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-3-[[4-[(4-ethylpiperazin-4-ium-1-yl)methyl]benzyl]amino]-3-keto-1-methyl-propyl]benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CC(C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C[C@H](C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-3-28-13-15-29(16-14-28)19-22-11-9-21(10-12-22)18-26-24(30)17-20(2)27-25(31)23-7-5-4-6-8-23/h4-12,20H,3,13-19H2,1-2H3,(H,26,30)(H,27,31)/p+1/t20-/m0/s1