(4-chloranyl-2-methyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chloranyl-2-methyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chloro-2-methylphenyl)-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chloro-2-methyl-phenyl)-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H29ClN3O+ MolecularWeight: 374.92746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)Cl)C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)Cl)C)C

InChI

InChI=1S/C21H28ClN3O/c1-4-9-25-16(3)18(12-23-25)14-24-10-5-6-17(13-24)21(26)20-8-7-19(22)11-15(20)2/h7-8,11-12,17H,4-6,9-10,13-14H2,1-3H3/p+1/t17-/m0/s1