N-[(S)-(4-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(S)-(4-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-pyridin-1-ium-2-amine Openeye Name: N-[(S)-(4-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methyl]-4-methyl-pyridin-1-ium-2-amine CAS Name: N-[(S)-(4-chlorophenyl)-(3,5-dimethyl-1-pyrazolyl)methyl]-4-methyl-2-pyridin-1-iumamine IUPAC Name: N-[(S)-(4-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methyl]-4-methylpyridin-1-ium-2-amine Traditional Name: [(S)-(4-chlorophenyl)-(3,5-dimethylpyrazol-1-yl)methyl]-(4-methylpyridin-1-ium-2-yl)amine Formula: C18H20ClN4+ MolecularWeight: 327.8312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=CC=C(C=C2)Cl)N3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@H](C2=CC=C(C=C2)Cl)N3C(=CC(=N3)C)C

InChI

InChI=1S/C18H19ClN4/c1-12-8-9-20-17(10-12)21-18(15-4-6-16(19)7-5-15)23-14(3)11-13(2)22-23/h4-11,18H,1-3H3,(H,20,21)/p+1/t18-/m0/s1