(2-heptoxy-1-oxidanidyl-pyrrolidin-1-ium-1-yl)-phenyl-methanone

Systemtic Name: (2-heptoxy-1-oxidanidyl-pyrrolidin-1-ium-1-yl)-phenyl-methanone Openeye Name: (2-heptoxy-1-oxido-pyrrolidin-1-ium-1-yl)-phenyl-methanone CAS Name: (2-heptoxy-1-oxido-1-pyrrolidin-1-iumyl)-phenylmethanone IUPAC Name: (2-heptoxy-1-oxidopyrrolidin-1-ium-1-yl)-phenylmethanone Traditional Name: (2-heptoxy-1-oxido-pyrrolidin-1-ium-1-yl)-phenyl-methanone Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1CCC[N+]1(C(=O)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCCCOC1CCC[N+]1(C(=O)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C18H27NO3/c1-2-3-4-5-9-15-22-17-13-10-14-19(17,21)18(20)16-11-7-6-8-12-16/h6-8,11-12,17H,2-5,9-10,13-15H2,1H3