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

Systemtic Name: 4-ethoxy-N-[(2R)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1R)-2-methyl-1-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1R)-2-methyl-1-[4-(2-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=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@H](C(C)C)C(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C23H31N3O3S/c1-4-29-19-9-7-18(8-10-19)22(27)24-21(17(2)3)23(28)26-13-11-25(12-14-26)16-20-6-5-15-30-20/h5-10,15,17,21H,4,11-14,16H2,1-3H3,(H,24,27)/p+1/t21-/m1/s1