(3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(4-methoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(4-methoxyphenyl)amine Formula: C18H26ClN4O+ MolecularWeight: 349.87824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCCC(C2)NC3=CC=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)OC)Cl)C

InChI

InChI=1S/C18H25ClN4O/c1-13-17(18(19)22(2)21-13)12-23-10-4-5-15(11-23)20-14-6-8-16(24-3)9-7-14/h6-9,15,20H,4-5,10-12H2,1-3H3/p+1/t15-/m0/s1