N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: [(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-[(1,5-dimethylpyrazol-4-yl)methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C24H45N5+2 MolecularWeight: 403.6476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN(CC[NH+]2CCCCC2)CC3CCC[NH+](C3)C4CCCC4

Isomeric SMILES

CC1=C(C=NN1C)CN(CC[NH+]2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C24H43N5/c1-21-23(17-25-26(21)2)20-28(16-15-27-12-6-3-7-13-27)18-22-9-8-14-29(19-22)24-10-4-5-11-24/h17,22,24H,3-16,18-20H2,1-2H3/p+2/t22-/m1/s1