4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(1,3-benzoxazol-2-ylmethyl)piperazin-4-ium-1-yl]phenol Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)C4=CC=C(C=C4)O

InChI

InChI=1S/C18H19N3O2/c22-15-7-5-14(6-8-15)21-11-9-20(10-12-21)13-18-19-16-3-1-2-4-17(16)23-18/h1-8,22H,9-13H2/p+1