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

Systemtic Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C24H32N4O3/c1-4-31-21-7-5-20(6-8-21)23(29)26-22(18(2)3)24(30)28-15-13-27(14-16-28)17-19-9-11-25-12-10-19/h5-12,18,22H,4,13-17H2,1-3H3,(H,26,29)/p+1/t22-/m0/s1