methyl-[(4R)-7-oxidanylidene-1-propyl-azepan-4-yl]-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium

Systemtic Name: methyl-[(4R)-7-oxidanylidene-1-propyl-azepan-4-yl]-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium Openeye Name: methyl-[(4R)-7-oxo-1-propyl-azepan-4-yl]-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium CAS Name: methyl-[(4R)-7-oxo-1-propyl-4-azepanyl]-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium IUPAC Name: methyl-[(4R)-7-oxo-1-propylazepan-4-yl]-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium Traditional Name: [(4R)-7-keto-1-propyl-azepan-4-yl]-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CCC1=O)[NH+](C)C(C)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CCCN1CC[C@@H](CCC1=O)[NH+](C)[C@@H](C)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4O/c1-4-13-25-14-12-18(10-11-21(25)26)24(3)16(2)19-15-20(23-22-19)17-8-6-5-7-9-17/h5-9,15-16,18H,4,10-14H2,1-3H3,(H,22,23)/p+1/t16-,18+/m0/s1