benzene; (2-butoxy-1-oxidanidyl-pyrrolidin-1-ium-1-yl)-phenyl-methanone

Systemtic Name: benzene; (2-butoxy-1-oxidanidyl-pyrrolidin-1-ium-1-yl)-phenyl-methanone Openeye Name: benzene; (2-butoxy-1-oxido-pyrrolidin-1-ium-1-yl)-phenyl-methanone CAS Name: benzene; (2-butoxy-1-oxido-1-pyrrolidin-1-iumyl)-phenylmethanone IUPAC Name: benzene; (2-butoxy-1-oxidopyrrolidin-1-ium-1-yl)-phenylmethanone Traditional Name: benzene; (2-butoxy-1-oxido-pyrrolidin-1-ium-1-yl)-phenyl-methanone Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CCC[N+]1(C(=O)C2=CC=CC=C2)[O-].C1=CC=CC=C1

Isomeric SMILES

CCCCOC1CCC[N+]1(C(=O)C2=CC=CC=C2)[O-].C1=CC=CC=C1

InChI

InChI=1S/C15H21NO3.C6H6/c1-2-3-12-19-14-10-7-11-16(14,18)15(17)13-8-5-4-6-9-13;1-2-4-6-5-3-1/h4-6,8-9,14H,2-3,7,10-12H2,1H3;1-6H