(3-nitro-4-piperidin-1-yl-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-nitro-4-piperidin-1-yl-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-nitro-4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [3-nitro-4-(1-piperidinyl)phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-nitro-4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: benzyl-(3-nitro-4-piperidino-benzyl)ammonium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C[NH2+]CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C[NH2+]CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O2/c23-22(24)19-13-17(15-20-14-16-7-3-1-4-8-16)9-10-18(19)21-11-5-2-6-12-21/h1,3-4,7-10,13,20H,2,5-6,11-12,14-15H2/p+1