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

Systemtic Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-methyl-1-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S)-2-methyl-1-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-4-29-20-7-5-19(6-8-20)22(27)24-21(17(2)3)23(28)26-12-10-25(11-13-26)15-18-9-14-30-16-18/h5-9,14,16-17,21H,4,10-13,15H2,1-3H3,(H,24,27)/p+1/t21-/m0/s1