2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[(5,6-dimethyl-1-benzimidazolyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]piperazin-4-ium-1-yl]phenol Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C20H24N4O/c1-15-11-17-19(12-16(15)2)24(13-21-17)14-22-7-9-23(10-8-22)18-5-3-4-6-20(18)25/h3-6,11-13,25H,7-10,14H2,1-2H3/p+1