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

Systemtic Name: 1-(phenylmethyl)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Openeye Name: 1-benzyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzyl-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4/c1-2-6-19(7-3-1)17-23-12-14-24(15-13-23)18-21-9-5-11-25(21)20-8-4-10-22-16-20/h1-11,16H,12-15,17-18H2/p+1