(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(5-methyl-2-pyrazol-1-yl-benzyl)-(3-pyridylmethyl)ammonium Formula: C28H39N5+2 MolecularWeight: 445.64276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5=CN=CC=C5

InChI

InChI=1S/C28H37N5/c1-23-9-10-28(33-15-5-14-30-33)26(18-23)22-31(21-25-6-4-13-29-19-25)20-24-11-16-32(17-12-24)27-7-2-3-8-27/h4-6,9-10,13-15,18-19,24,27H,2-3,7-8,11-12,16-17,20-22H2,1H3/p+2