4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one

Systemtic Name: 4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one Openeye Name: 4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one CAS Name: 4-[4-[4-(4-morpholin-4-iumyl)butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one Traditional Name: 4-[4-(4-morpholin-4-ium-4-ylbutoxy)phenyl]butan-2-one Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCOCC2

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CCOCC2

InChI

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