ethyl-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]ammonium CAS Name: ethyl-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-ethyl-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]ammonium Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O2/c1-2-23(17-18-7-4-3-5-8-18)20-11-13-22(14-12-20)16-19-9-6-10-21(15-19)24(25)26/h3-10,15,20H,2,11-14,16-17H2,1H3/p+2