2-[1-(cyclooctylmethyl)-2-[(2-nitrophenyl)amino]piperidin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[1-(cyclooctylmethyl)-2-[(2-nitrophenyl)amino]piperidin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[1-(cyclooctylmethyl)-2-(2-nitroanilino)piperidin-1-ium-1-yl]acetonitrile CAS Name: 2-[1-(cyclooctylmethyl)-2-(2-nitroanilino)-1-piperidin-1-iumyl]acetonitrile IUPAC Name: 2-[1-(cyclooctylmethyl)-2-(2-nitroanilino)piperidin-1-ium-1-yl]acetonitrile Traditional Name: 2-[1-(cyclooctylmethyl)-2-(2-nitroanilino)piperidin-1-ium-1-yl]acetonitrile Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)C[N+]2(CCCCC2NC3=CC=CC=C3[N+](=O)[O-])CC#N

Isomeric SMILES

C1CCCC(CCC1)C[N+]2(CCCCC2NC3=CC=CC=C3[N+](=O)[O-])CC#N

InChI

InChI=1S/C22H33N4O2/c23-15-17-26(18-19-10-4-2-1-3-5-11-19)16-9-8-14-22(26)24-20-12-6-7-13-21(20)25(27)28/h6-7,12-13,19,22,24H,1-5,8-11,14,16-18H2/q+1