4-[(S)-(7-methoxy-2-oxidanyl-naphthalen-1-yl)-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[(S)-(7-methoxy-2-oxidanyl-naphthalen-1-yl)-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(S)-(4-benzoylpiperazin-1-ium-1-yl)-(2-hydroxy-7-methoxy-1-naphthyl)methyl]benzonitrile CAS Name: 4-[(S)-(4-benzoyl-1-piperazin-1-iumyl)-(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]benzonitrile IUPAC Name: 4-[(S)-(4-benzoylpiperazin-1-ium-1-yl)-(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]benzonitrile Traditional Name: 4-[(S)-(4-benzoylpiperazin-1-ium-1-yl)-(2-hydroxy-7-methoxy-1-naphthyl)methyl]benzonitrile Formula: C30H28N3O3+ MolecularWeight: 478.56162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C(C3=CC=C(C=C3)C#N)[NH+]4CCN(CC4)C(=O)C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2[C@H](C3=CC=C(C=C3)C#N)[NH+]4CCN(CC4)C(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C30H27N3O3/c1-36-25-13-11-22-12-14-27(34)28(26(22)19-25)29(23-9-7-21(20-31)8-10-23)32-15-17-33(18-16-32)30(35)24-5-3-2-4-6-24/h2-14,19,29,34H,15-18H2,1H3/p+1/t29-/m0/s1