11-methyl-9-(4-nitrophenyl)-10-oxa-6-azoniaspiro[5.5]undecan-9-ol bromide

Systemtic Name: 11-methyl-9-(4-nitrophenyl)-10-oxa-6-azoniaspiro[5.5]undecan-9-ol bromide Openeye Name: 11-methyl-9-(4-nitrophenyl)-10-oxa-6-azoniaspiro[5.5]undecan-9-ol bromide CAS Name: 11-methyl-9-(4-nitrophenyl)-10-oxa-6-azoniaspiro[5.5]undecan-9-ol bromide IUPAC Name: 11-methyl-9-(4-nitrophenyl)-10-oxa-6-azoniaspiro[5.5]undecan-9-ol bromide Traditional Name: 11-methyl-9-(4-nitrophenyl)-10-oxa-6-azoniaspiro[5.5]undecan-9-ol bromide Formula: C16H23BrN2O4 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC1[N+]2(CCCCC2)CCC(O1)(C3=CC=C(C=C3)[N+](=O)[O-])O.[Br-]

Isomeric SMILES

CC1[N+]2(CCCCC2)CCC(O1)(C3=CC=C(C=C3)[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C16H23N2O4.BrH/c1-13-18(10-3-2-4-11-18)12-9-16(19,22-13)14-5-7-15(8-6-14)17(20)21;/h5-8,13,19H,2-4,9-12H2,1H3;1H/q+1;/p-1