2-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[4-[(9-ethylcarbazol-3-yl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methoxy-phenol Formula: C27H33N3O2+2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)O)C5=CC=CC=C51

InChI

InChI=1S/C27H31N3O2/c1-3-30-25-7-5-4-6-23(25)24-16-20(8-10-26(24)30)18-28-12-14-29(15-13-28)19-21-17-22(32-2)9-11-27(21)31/h4-11,16-17,31H,3,12-15,18-19H2,1-2H3/p+2