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

Systemtic Name: 1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-methyl-pyrazol-4-amine Openeye Name: 1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-methyl-pyrazol-4-amine CAS Name: 1-ethyl-N-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-methyl-4-pyrazolamine IUPAC Name: 1-ethyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine Traditional Name: (1-ethyl-3-methyl-pyrazol-4-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]amine Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

CCN1C=C(C(=N1)C)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O/c1-4-24-15-19(16(2)22-24)21-13-17-8-9-20(25-3)18(12-17)14-23-10-6-5-7-11-23/h8-9,12,15,21H,4-7,10-11,13-14H2,1-3H3/p+1