N-[(4-nitrophenyl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(4-nitrophenyl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(4-nitrophenyl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(4-nitrophenyl)methyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-[(4-nitrophenyl)methyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: (4-nitrobenzyl)-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCNCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O2/c19-18(20)15-7-5-14(6-8-15)13-16-9-4-12-17-10-2-1-3-11-17/h5-8,16H,1-4,9-13H2/p+1