[2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Openeye Name: [2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylammonium CAS Name: [2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]methylammonium IUPAC Name: [2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Traditional Name: [2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]benzyl]ammonium Formula: C17H24N4+2 MolecularWeight: 284.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C[NH3+])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C[NH3+])C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4/c18-13-15-5-1-2-6-16(15)14-20-9-11-21(12-10-20)17-7-3-4-8-19-17/h1-8H,9-14,18H2/p+2