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

Systemtic Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-4-ethoxy-benzamide CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide Traditional Name: N-[(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-propyl]-4-ethoxy-benzamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-4-31-22-12-10-21(11-13-22)24(29)26-23(19(2)3)25(30)28-16-14-27(15-17-28)18-20-8-6-5-7-9-20/h5-13,19,23H,4,14-18H2,1-3H3,(H,26,29)/p+1/t23-/m0/s1