[3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium

Systemtic Name: [3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Openeye Name: [3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylammonium CAS Name: [3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]methylammonium IUPAC Name: [3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-[(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=C2)C[NH3+])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C[NH3+])C3=CC=CC=[NH+]3

InChI

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