3-(1-ethanoylpiperazin-1-ium-1-yl)-1-[6-(2-oxidanyl-4-pyridin-3-yl-butoxy)naphthalen-2-yl]propan-1-one

Systemtic Name: 3-(1-ethanoylpiperazin-1-ium-1-yl)-1-[6-(2-oxidanyl-4-pyridin-3-yl-butoxy)naphthalen-2-yl]propan-1-one Openeye Name: 3-(1-acetylpiperazin-1-ium-1-yl)-1-[6-[2-hydroxy-4-(3-pyridyl)butoxy]-2-naphthyl]propan-1-one CAS Name: 3-(1-acetyl-1-piperazin-1-iumyl)-1-[6-[2-hydroxy-4-(3-pyridinyl)butoxy]-2-naphthalenyl]-1-propanone IUPAC Name: 3-(1-acetylpiperazin-1-ium-1-yl)-1-[6-(2-hydroxy-4-pyridin-3-ylbutoxy)naphthalen-2-yl]propan-1-one Traditional Name: 3-(1-acetylpiperazin-1-ium-1-yl)-1-[6-[2-hydroxy-4-(3-pyridyl)butoxy]-2-naphthyl]propan-1-one Formula: C28H34N3O4+ MolecularWeight: 476.58726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCNCC1)CCC(=O)C2=CC3=C(C=C2)C=C(C=C3)OCC(CCC4=CN=CC=C4)O

Isomeric SMILES

CC(=O)[N+]1(CCNCC1)CCC(=O)C2=CC3=C(C=C2)C=C(C=C3)OCC(CCC4=CN=CC=C4)O

InChI

InChI=1S/C28H34N3O4/c1-21(32)31(15-12-29-13-16-31)14-10-28(34)25-6-5-24-18-27(9-7-23(24)17-25)35-20-26(33)8-4-22-3-2-11-30-19-22/h2-3,5-7,9,11,17-19,26,29,33H,4,8,10,12-16,20H2,1H3/q+1