4-chloranyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4-chloranyl-2-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-chloro-phenol CAS Name: 4-chloro-2-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-chlorophenol Traditional Name: 2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-chloro-phenol Formula: C18H23ClN2O+2 MolecularWeight: 318.84102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C18H21ClN2O/c19-17-6-7-18(22)16(12-17)14-21-10-8-20(9-11-21)13-15-4-2-1-3-5-15/h1-7,12,22H,8-11,13-14H2/p+2