(3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-(5-methyl-2-pyrazol-1-yl-benzyl)-3-pyrrolidino-piperidin-1-ium Formula: C20H29N4+ MolecularWeight: 325.47106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4/c1-17-7-8-20(24-13-5-9-21-24)18(14-17)15-22-10-4-6-19(16-22)23-11-2-3-12-23/h5,7-9,13-14,19H,2-4,6,10-12,15-16H2,1H3/p+1/t19-/m0/s1