(4-acetamidophenyl)methyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ylethyl)azanium

Systemtic Name: (4-acetamidophenyl)methyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ylethyl)azanium Openeye Name: (4-acetamidophenyl)methyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-[2-(1-piperidyl)ethyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl]-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidin-1-ylethyl)azanium Traditional Name: (4-acetamidobenzyl)-[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl]-(2-piperidinoethyl)ammonium Formula: C27H46N4O+2 MolecularWeight: 442.68034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+](CCN2CCCCC2)CC3CCC[NH+](C3)C4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+](CCN2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C27H44N4O/c1-23(32)28-26-13-11-24(12-14-26)20-30(19-18-29-15-5-2-6-16-29)21-25-8-7-17-31(22-25)27-9-3-4-10-27/h11-14,25,27H,2-10,15-22H2,1H3,(H,28,32)/p+2/t25-/m1/s1