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

Systemtic Name: N-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ium-1-ylethyl)amine Formula: C24H44ClN5+2 MolecularWeight: 438.09266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN(CC[NH+]2CCCCC2)CC3CCC[NH+](C3)C4CCCC4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN(CC[NH+]2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4)Cl)C

InChI

InChI=1S/C24H42ClN5/c1-20-23(24(25)27(2)26-20)19-29(16-15-28-12-6-3-7-13-28)17-21-9-8-14-30(18-21)22-10-4-5-11-22/h21-22H,3-19H2,1-2H3/p+2/t21-/m1/s1