(3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCCC(C3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H30N4O2/c1-2-5-16(6-3-1)22-17(12-23-25-22)13-26-10-4-7-19(14-26)24-18-8-9-20-21(11-18)28-15-27-20/h8-9,11-12,16,19,24H,1-7,10,13-15H2,(H,23,25)/p+1/t19-/m0/s1