4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide

Systemtic Name: 4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 4-methoxy-N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 4-methoxy-N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N4O3/c1-17(2)21(25-22(28)19-4-6-20(30-3)7-5-19)23(29)27-14-12-26(13-15-27)16-18-8-10-24-11-9-18/h4-11,17,21H,12-16H2,1-3H3,(H,25,28)/p+1/t21-/m0/s1