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

Systemtic Name: (3S)-N-cyclohexyl-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclohexyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclohexyl-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclohexylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-cyclohexyl-piperidin-1-ium-3-carboxamide Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H37N3O/c28-24(25-22-11-5-2-6-12-22)21-10-7-15-27(19-21)23-13-16-26(17-14-23)18-20-8-3-1-4-9-20/h1,3-4,8-9,21-23H,2,5-7,10-19H2,(H,25,28)/p+2/t21-/m0/s1