(3S)-N-phenyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-phenyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]amine Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)NC3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c1-2-7-16(8-3-1)19-17-9-4-11-20(15-17)12-6-14-21-13-5-10-18-21/h1-3,5,7-8,10,13,17,19H,4,6,9,11-12,14-15H2/p+1/t17-/m0/s1