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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C23H30N4O3/c1-4-30-20-7-5-18(6-8-20)22(28)25-21(17(2)3)23(29)27-15-13-26(14-16-27)19-9-11-24-12-10-19/h5-12,17,21H,4,13-16H2,1-3H3,(H,25,28)/p+1/t21-/m0/s1