N-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]phenyl]-3-methyl-butyramide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-17(2)15-23(29)24-19-5-3-18(4-6-19)22(28)16-25-11-13-26(14-12-25)20-7-9-21(27)10-8-20/h3-10,17,27H,11-16H2,1-2H3,(H,24,29)/p+1