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

Systemtic Name: (3S)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: (1-ethyl-5-methyl-pyrazol-4-yl)methyl-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]amine Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CNC2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C20H30N4O/c1-4-24-16(2)18(13-22-24)12-21-19-8-6-10-23(15-19)14-17-7-5-9-20(11-17)25-3/h5,7,9,11,13,19,21H,4,6,8,10,12,14-15H2,1-3H3/p+1/t19-/m0/s1