N,N-diethyl-2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H32N4O3/c1-4-30(5-2)26(32)19-29-14-16-31(17-15-29)27(33)23-18-25(20-10-12-21(34-3)13-11-20)28-24-9-7-6-8-22(23)24/h6-13,18H,4-5,14-17,19H2,1-3H3/p+1