3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Systemtic Name: 3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one Openeye Name: 3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one CAS Name: 3-[[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one IUPAC Name: 3-[(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one Traditional Name: 3-[[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=O)N2)C[NH+]3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=O)N2)C[NH+]3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H25N5O/c25-18-16(13-15-5-1-2-6-17(15)22-18)14-23-9-4-10-24(12-11-23)19-20-7-3-8-21-19/h3,7-8,13H,1-2,4-6,9-12,14H2,(H,22,25)/p+1