2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 2-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C27H30N4O3/c1-20(21-7-3-2-4-8-21)28-27(34)24-9-5-6-10-25(24)29-26(33)19-30-15-17-31(18-16-30)22-11-13-23(32)14-12-22/h2-14,20,32H,15-19H2,1H3,(H,28,34)(H,29,33)/p+1/t20-/m1/s1