[[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 4-nitrobenzoate

Systemtic Name: [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 4-nitrobenzoate Openeye Name: [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] ester IUPAC Name: [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ylidene]amino] ester Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C2

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C2

InChI

InChI=1S/C15H17N3O4/c1-17-13-6-7-14(17)9-11(8-13)16-22-15(19)10-2-4-12(5-3-10)18(20)21/h2-5,13-14H,6-9H2,1H3/p+1/t13-,14+