(1-methylpyrazol-4-yl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium

Systemtic Name: (1-methylpyrazol-4-yl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Openeye Name: (1-methylpyrazol-4-yl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium CAS Name: (1-methyl-4-pyrazolyl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium IUPAC Name: (1-methylpyrazol-4-yl)methyl-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]azanium Traditional Name: (1-methylpyrazol-4-yl)methyl-[(4S)-4,5,6,7-tetrahydrobenzofuran-4-yl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]C2CCCC3=C2C=CO3

Isomeric SMILES

CN1C=C(C=N1)C[NH2+][C@H]2CCCC3=C2C=CO3

InChI

InChI=1S/C13H17N3O/c1-16-9-10(8-15-16)7-14-12-3-2-4-13-11(12)5-6-17-13/h5-6,8-9,12,14H,2-4,7H2,1H3/p+1/t12-/m0/s1