4-[(2R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzonitrile CAS Name: 4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]benzonitrile IUPAC Name: 4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzonitrile Traditional Name: 4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]benzonitrile Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H25N3O3/c1-26-21-5-3-2-4-20(21)24-12-10-23(11-13-24)15-18(25)16-27-19-8-6-17(14-22)7-9-19/h2-9,18,25H,10-13,15-16H2,1H3/p+1/t18-/m1/s1