(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C19H27N4+ MolecularWeight: 311.44448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@H]2CCCN(C2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H26N4/c1-2-7-16(8-3-1)19-17(13-20-21-19)14-22-10-6-9-18(15-22)23-11-4-5-12-23/h1-3,7-8,13,18H,4-6,9-12,14-15H2,(H,20,21)/p+1/t18-/m0/s1