(2S,3S)-1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-phenyl-pentan-1-one

Systemtic Name: (2S,3S)-1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-phenyl-pentan-1-one Openeye Name: (2S,3S)-1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-phenyl-pentan-1-one CAS Name: (2S,3S)-1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-phenyl-1-pentanone IUPAC Name: (2S,3S)-1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-phenylpentan-1-one Traditional Name: (2S,3S)-1-(1,4-diazepan-4-ium-1-yl)-3-methyl-2-phenyl-pentan-1-one Formula: C17H27N2O+ MolecularWeight: 275.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C17H26N2O/c1-3-14(2)16(15-8-5-4-6-9-15)17(20)19-12-7-10-18-11-13-19/h4-6,8-9,14,16,18H,3,7,10-13H2,1-2H3/p+1/t14-,16-/m0/s1