N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]phenyl]propanamide

Systemtic Name: N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]phenyl]propanamide Openeye Name: N-[3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]propanamide CAS Name: N-[3-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]propanamide Traditional Name: N-[3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]phenyl]propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O3/c1-3-21(27)23-17-7-6-8-18(15-17)24-22(28)16-25-11-13-26(14-12-25)19-9-4-5-10-20(19)29-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,27)(H,24,28)/p+1