(3S,4S)-3,4-di(morpholin-4-ium-4-yl)-4-phenyl-butan-2-one

Systemtic Name: (3S,4S)-3,4-di(morpholin-4-ium-4-yl)-4-phenyl-butan-2-one Openeye Name: (3S,4S)-3,4-di(morpholin-4-ium-4-yl)-4-phenyl-butan-2-one CAS Name: (3S,4S)-3,4-bis(4-morpholin-4-iumyl)-4-phenyl-2-butanone IUPAC Name: (3S,4S)-3,4-di(morpholin-4-ium-4-yl)-4-phenylbutan-2-one Traditional Name: (3S,4S)-3,4-di(morpholin-4-ium-4-yl)-4-phenyl-butan-2-one Formula: C18H28N2O3+2 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=CC=C1)[NH+]2CCOCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(=O)[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)[NH+]3CCOCC3

InChI

InChI=1S/C18H26N2O3/c1-15(21)17(19-7-11-22-12-8-19)18(16-5-3-2-4-6-16)20-9-13-23-14-10-20/h2-6,17-18H,7-14H2,1H3/p+2/t17-,18+/m1/s1