(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: (5-chloro-1,3-dimethylpyrazol-4-yl)methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C16H21ClN3O2+ MolecularWeight: 322.80984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]C2CC3=C(C(=CC=C3)OC)OC2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH2+][C@H]2CC3=C(C(=CC=C3)OC)OC2)Cl)C

InChI

InChI=1S/C16H20ClN3O2/c1-10-13(16(17)20(2)19-10)8-18-12-7-11-5-4-6-14(21-3)15(11)22-9-12/h4-6,12,18H,7-9H2,1-3H3/p+1/t12-/m0/s1