(5R)-1-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)-1-(p-tolylmethyl)azepan-2-one CAS Name: (5R)-1-[(4-methylphenyl)methyl]-5-[4-(4-morpholin-4-iumyl)-1-piperidin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(4-methylphenyl)methyl]-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-(4-methylbenzyl)-5-(4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl)azepan-2-one Formula: C23H37N3O2+2 MolecularWeight: 387.55878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+]3CCC(CC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCC(CC3)[NH+]4CCOCC4

InChI

InChI=1S/C23H35N3O2/c1-19-2-4-20(5-3-19)18-26-13-10-21(6-7-23(26)27)24-11-8-22(9-12-24)25-14-16-28-17-15-25/h2-5,21-22H,6-18H2,1H3/p+2/t21-/m1/s1