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

Systemtic Name: 4-[(2R)-3-[4-[(4-azanylquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-[4-[(4-aminoquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[4-[(4-amino-2-quinazolin-3-iumyl)methyl]-1-piperazin-4-iumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-[4-[(4-aminoquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-[4-[(4-aminoquinazolin-3-ium-2-yl)methyl]piperazin-4-ium-1-yl]-2-hydroxy-propoxy]benzonitrile Formula: C23H28N6O2+2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)N)C[C@H](COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C23H26N6O2/c24-13-17-5-7-19(8-6-17)31-16-18(30)14-28-9-11-29(12-10-28)15-22-26-21-4-2-1-3-20(21)23(25)27-22/h1-8,18,30H,9-12,14-16H2,(H2,25,26,27)/p+2/t18-/m1/s1