(3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium

Systemtic Name: (3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium Openeye Name: (3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium CAS Name: (3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium IUPAC Name: (3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium Traditional Name: (3S,5S)-3,5-dimethyl-1-[4-(2-nitrophenoxy)butyl]piperidin-1-ium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCCOC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCCCOC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H26N2O3/c1-14-11-15(2)13-18(12-14)9-5-6-10-22-17-8-4-3-7-16(17)19(20)21/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3/p+1/t14-,15-/m0/s1