1-(diphenylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C27H29N4+ MolecularWeight: 409.54596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CN=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CN=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4/c1-3-9-23(10-4-1)27(24-11-5-2-6-12-24)30-19-17-29(18-20-30)22-26-14-8-16-31(26)25-13-7-15-28-21-25/h1-16,21,27H,17-20,22H2/p+1