(3S)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-[(1-ethyl-4-pyrazolyl)methyl]-N-methyl-1-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-phenethylpiperidin-1-ium-3-amine Traditional Name: (1-ethylpyrazol-4-yl)methyl-methyl-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amine Formula: C20H31N4+ MolecularWeight: 327.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)CN(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H30N4/c1-3-24-16-19(14-21-24)15-22(2)20-10-7-12-23(17-20)13-11-18-8-5-4-6-9-18/h4-6,8-9,14,16,20H,3,7,10-13,15,17H2,1-2H3/p+1/t20-/m0/s1