(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[4-(4-oxidanylbut-1-ynyl)phenyl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-(3-pyridylmethyl)ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[4-(4-hydroxybut-1-ynyl)benzyl]-(3-pyridylmethyl)ammonium Formula: C28H39N3O+2 MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CC=C(C=C3)C#CCCO)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3=CC=C(C=C3)C#CCCO)CC4=CN=CC=C4

InChI

InChI=1S/C28H37N3O/c32-19-4-3-6-24-10-12-25(13-11-24)21-30(23-27-7-5-16-29-20-27)22-26-14-17-31(18-15-26)28-8-1-2-9-28/h5,7,10-13,16,20,26,28,32H,1-2,4,8-9,14-15,17-19,21-23H2/p+2