[3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]methylammonium CAS Name: [3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [3-[(4-benzylpiperazin-1-ium-1-yl)methyl]phenyl]methylazanium Traditional Name: [3-[(4-benzylpiperazin-1-ium-1-yl)methyl]benzyl]ammonium Formula: C19H27N3+2 MolecularWeight: 297.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C[NH3+])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C[NH3+])CC3=CC=CC=C3

InChI

InChI=1S/C19H25N3/c20-14-18-7-4-8-19(13-18)16-22-11-9-21(10-12-22)15-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16,20H2/p+2