(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium

Systemtic Name: (3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium Openeye Name: (3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-yl-piperidin-1-ium CAS Name: (3S)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-(1-pyrrolidinyl)piperidin-1-ium IUPAC Name: (3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-1-ium Traditional Name: (3S)-1-(4-pyrazol-1-ylbenzyl)-3-pyrrolidino-piperidin-1-ium Formula: C19H27N4+ MolecularWeight: 311.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCN(C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H26N4/c1-2-13-22(12-1)19-5-3-11-21(16-19)15-17-6-8-18(9-7-17)23-14-4-10-20-23/h4,6-10,14,19H,1-3,5,11-13,15-16H2/p+1/t19-/m0/s1