4-[4-(benzimidazol-1-ylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-(benzimidazol-1-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-(benzimidazol-1-ylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-(1-benzimidazolylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-(benzimidazol-1-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(benzimidazol-1-ylmethyl)piperazin-4-ium-1-yl]phenol Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NC3=CC=CC=C32)C4=CC=C(C=C4)O

InChI

InChI=1S/C18H20N4O/c23-16-7-5-15(6-8-16)21-11-9-20(10-12-21)14-22-13-19-17-3-1-2-4-18(17)22/h1-8,13,23H,9-12,14H2/p+1