1-[(2R)-6-methylhept-5-en-2-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2R)-6-methylhept-5-en-2-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-1,5-dimethylhex-4-enyl]-4-(2-pyridylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-6-methylhept-5-en-2-yl]-4-(2-pyridinylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-6-methylhept-5-en-2-yl]-4-(pyridin-2-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-1,5-dimethylhex-4-enyl]-4-(2-pyridylmethyl)-1,4-diazepan-1-ium-5-one Formula: C19H30N3O+ MolecularWeight: 316.461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)[NH+]1CCC(=O)N(CC1)CC2=CC=CC=N2

Isomeric SMILES

C[C@H](CCC=C(C)C)[NH+]1CCC(=O)N(CC1)CC2=CC=CC=N2

InChI

InChI=1S/C19H29N3O/c1-16(2)7-6-8-17(3)21-12-10-19(23)22(14-13-21)15-18-9-4-5-11-20-18/h4-5,7,9,11,17H,6,8,10,12-15H2,1-3H3/p+1/t17-/m1/s1