N-(2-ethylphenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCC[C@H](C3)C

InChI

InChI=1S/C22H34N4O2/c1-3-19-8-4-5-9-20(19)23-21(27)16-24-11-13-26(14-12-24)22(28)17-25-10-6-7-18(2)15-25/h4-5,8-9,18H,3,6-7,10-17H2,1-2H3,(H,23,27)/p+2/t18-/m1/s1