methyl-[2-(1H-pyrazol-4-yl)ethyl]-[[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methyl]azanium

Systemtic Name: methyl-[2-(1H-pyrazol-4-yl)ethyl]-[[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methyl]azanium Openeye Name: methyl-[2-(1H-pyrazol-4-yl)ethyl]-[[(3S)-1-pyridin-1-ium-2-yl-3-piperidyl]methyl]ammonium CAS Name: methyl-[2-(1H-pyrazol-4-yl)ethyl]-[[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methyl]ammonium IUPAC Name: methyl-[2-(1H-pyrazol-4-yl)ethyl]-[[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]methyl]azanium Traditional Name: methyl-[2-(1H-pyrazol-4-yl)ethyl]-[[(3S)-1-pyridin-1-ium-2-yl-3-piperidyl]methyl]ammonium Formula: C17H27N5+2 MolecularWeight: 301.42978

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CNN=C1)CC2CCCN(C2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CCC1=CNN=C1)C[C@H]2CCCN(C2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H25N5/c1-21(10-7-15-11-19-20-12-15)13-16-5-4-9-22(14-16)17-6-2-3-8-18-17/h2-3,6,8,11-12,16H,4-5,7,9-10,13-14H2,1H3,(H,19,20)/p+2/t16-/m1/s1