methyl-[2-(1-methylpyrazol-4-yl)ethyl]-[(4R)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]azanium

Systemtic Name: methyl-[2-(1-methylpyrazol-4-yl)ethyl]-[(4R)-7-oxidanylidene-1-(2-phenoxyethyl)azepan-4-yl]azanium Openeye Name: methyl-[2-(1-methylpyrazol-4-yl)ethyl]-[(4R)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]ammonium CAS Name: methyl-[2-(1-methyl-4-pyrazolyl)ethyl]-[(4R)-7-oxo-1-(2-phenoxyethyl)-4-azepanyl]ammonium IUPAC Name: methyl-[2-(1-methylpyrazol-4-yl)ethyl]-[(4R)-7-oxo-1-(2-phenoxyethyl)azepan-4-yl]azanium Traditional Name: [(4R)-7-keto-1-(2-phenoxyethyl)azepan-4-yl]-methyl-[2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC[NH+](C)C2CCC(=O)N(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CC[NH+](C)[C@@H]2CCC(=O)N(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-23(12-10-18-16-22-24(2)17-18)19-8-9-21(26)25(13-11-19)14-15-27-20-6-4-3-5-7-20/h3-7,16-17,19H,8-15H2,1-2H3/p+1/t19-/m1/s1