1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium

Systemtic Name: 1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Openeye Name: 1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium CAS Name: 1-[[(3R)-1-(2-methoxyethyl)-3-pyrrolidin-1-iumyl]methyl]-4-(2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Traditional Name: 1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]methyl]-4-(2-pyrimidyl)-1,4-diazepan-1-ium Formula: C17H31N5O+2 MolecularWeight: 321.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(C1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COCC[NH+]1CC[C@@H](C1)C[NH+]2CCCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H29N5O/c1-23-13-12-21-9-4-16(15-21)14-20-7-3-8-22(11-10-20)17-18-5-2-6-19-17/h2,5-6,16H,3-4,7-15H2,1H3/p+2/t16-/m1/s1