3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-4-methoxy-anilino)propionamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H28N4O4/c1-30-20-8-4-18(5-9-20)26(11-10-21(23)28)22(29)16-24-12-14-25(15-13-24)17-2-6-19(27)7-3-17/h2-9,27H,10-16H2,1H3,(H2,23,28)/p+1