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

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C20H31N4+ MolecularWeight: 327.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCCC(C2)NC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)NC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C20H30N4/c1-5-24-17(4)18(12-21-24)13-23-10-6-7-20(14-23)22-19-9-8-15(2)16(3)11-19/h8-9,11-12,20,22H,5-7,10,13-14H2,1-4H3/p+1/t20-/m0/s1