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

Systemtic Name: (3S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-piperidin-1-ium-3-amine Openeye Name: (3S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenethyl-piperidin-1-ium-3-amine CAS Name: (3S)-N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-1-phenethyl-3-piperidin-1-iumamine IUPAC Name: (3S)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-phenethylpiperidin-1-ium-3-amine Traditional Name: methyl-[(1-methylpyrazol-4-yl)methyl]-[(3S)-1-phenethylpiperidin-1-ium-3-yl]amine Formula: C19H29N4+ MolecularWeight: 313.46036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CN(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H28N4/c1-21(14-18-13-20-22(2)15-18)19-9-6-11-23(16-19)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,15,19H,6,9-12,14,16H2,1-2H3/p+1/t19-/m0/s1