[1-[(2S)-butan-2-yl]pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium

Systemtic Name: [1-[(2S)-butan-2-yl]pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Openeye Name: 2-(3-methoxyphenyl)ethyl-[[1-[(1S)-1-methylpropyl]pyrazol-4-yl]methyl]ammonium CAS Name: [1-[(2S)-butan-2-yl]-4-pyrazolyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: [1-[(2S)-butan-2-yl]pyrazol-4-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Traditional Name: 2-(3-methoxyphenyl)ethyl-[[1-[(1S)-1-methylpropyl]pyrazol-4-yl]methyl]ammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C=N1)C[NH2+]CCC2=CC(=CC=C2)OC

Isomeric SMILES

CC[C@H](C)N1C=C(C=N1)C[NH2+]CCC2=CC(=CC=C2)OC

InChI

InChI=1S/C17H25N3O/c1-4-14(2)20-13-16(12-19-20)11-18-9-8-15-6-5-7-17(10-15)21-3/h5-7,10,12-14,18H,4,8-9,11H2,1-3H3/p+1/t14-/m0/s1