(4-nitrophenyl)-(4-thia-1-aza-8-azoniaspiro[4.5]decan-1-yl)methanone

Systemtic Name: (4-nitrophenyl)-(4-thia-1-aza-8-azoniaspiro[4.5]decan-1-yl)methanone Openeye Name: (4-nitrophenyl)-(4-thia-1-aza-8-azoniaspiro[4.5]decan-1-yl)methanone CAS Name: (4-nitrophenyl)-(4-thia-1-aza-8-azoniaspiro[4.5]decan-1-yl)methanone IUPAC Name: (4-nitrophenyl)-(4-thia-1-aza-8-azoniaspiro[4.5]decan-1-yl)methanone Traditional Name: (4-nitrophenyl)-(4-thia-1-aza-8-azoniaspiro[4.5]decan-1-yl)methanone Formula: C14H18N3O3S+ MolecularWeight: 308.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC12N(CCS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCC12N(CCS2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O3S/c18-13(11-1-3-12(4-2-11)17(19)20)16-9-10-21-14(16)5-7-15-8-6-14/h1-4,15H,5-10H2/p+1