ethyl-[(3S)-1-(1-piperidin-1-ium-1-ylcyclohexyl)carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(1-piperidin-1-ium-1-ylcyclohexyl)carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(1-piperidin-1-ium-1-ylcyclohexanecarbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[oxo-[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(1-piperidin-1-ium-1-ylcyclohexanecarbonyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(1-piperidin-1-ium-1-ylcyclohexanecarbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C25H42N4O+2 MolecularWeight: 414.62718

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3(CCCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3(CCCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C25H40N4O/c1-2-27(20-22-11-15-26-16-12-22)23-10-9-17-28(21-23)24(30)25(13-5-3-6-14-25)29-18-7-4-8-19-29/h11-12,15-16,23H,2-10,13-14,17-21H2,1H3/p+2/t23-/m0/s1