(3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)-3-pyrrolidino-piperidin-1-ium Formula: C21H31N4+ MolecularWeight: 339.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCCC(C3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)N4CCCC4)C

InChI

InChI=1S/C21H30N4/c1-17-13-18(2)20(21(14-17)25-12-6-8-22-25)16-23-9-5-7-19(15-23)24-10-3-4-11-24/h6,8,12-14,19H,3-5,7,9-11,15-16H2,1-2H3/p+1/t19-/m0/s1