N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-pyrazol-4-amine

Systemtic Name: N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-pyrazol-4-amine Openeye Name: N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethyl-pyrazol-4-amine CAS Name: N-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,3-dimethyl-4-pyrazolamine IUPAC Name: N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,3-dimethylpyrazol-4-amine Traditional Name: (1,3-dimethylpyrazol-4-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]amine Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=NN(C=C1NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C

InChI

InChI=1S/C19H28N4O/c1-15-18(14-22(2)21-15)20-12-16-7-8-19(24-3)17(11-16)13-23-9-5-4-6-10-23/h7-8,11,14,20H,4-6,9-10,12-13H2,1-3H3/p+1