(3S)-N-cyclohexyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclohexyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclohexyl-1-[1-(4-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclohexyl-1-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclohexyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclohexyl-1-[1-(4-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CCC[NH+](C2)C3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H36N4O/c28-23(25-21-6-2-1-3-7-21)20-5-4-14-27(18-20)22-10-15-26(16-11-22)17-19-8-12-24-13-9-19/h8-9,12-13,20-22H,1-7,10-11,14-18H2,(H,25,28)/p+1/t20-/m0/s1