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

Systemtic Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(1-methyl-4-pyrazolyl)methyl]-N-phenyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(1-methylpyrazol-4-yl)methyl]-N-phenylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-phenyl-amine Formula: C16H23N4+ MolecularWeight: 271.38062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)NC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3

InChI

InChI=1S/C16H22N4/c1-19-11-14(10-17-19)12-20-9-5-8-16(13-20)18-15-6-3-2-4-7-15/h2-4,6-7,10-11,16,18H,5,8-9,12-13H2,1H3/p+1/t16-/m0/s1