2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2-ethoxy-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2-ethoxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C18H25N3O2+2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)O

InChI

InChI=1S/C18H23N3O2/c1-2-23-17-13-15(6-7-16(17)22)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13,22H,2,9-12,14H2,1H3/p+2