3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-nitrophenyl)methyl]azanium

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-nitrophenyl)methyl]azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-nitrophenyl)methyl]ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[(3-nitrophenyl)methyl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(3-nitrophenyl)methyl]azanium Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-(3-nitrobenzyl)ammonium Formula: C16H27N3O2+2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O2/c1-14-6-10-18(11-7-14)9-3-8-17-13-15-4-2-5-16(12-15)19(20)21/h2,4-5,12,14,17H,3,6-11,13H2,1H3/p+2