azocan-1-yl-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azocan-1-yl-[(3S)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Openeye Name: azocan-1-yl-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azocanyl-[(3S)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azocan-1-yl-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: azocan-1-yl-[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H39N3O/c29-25(27-15-7-2-1-3-8-16-27)23-12-9-17-28(21-23)24-13-18-26(19-14-24)20-22-10-5-4-6-11-22/h4-6,10-11,23-24H,1-3,7-9,12-21H2/p+2/t23-/m0/s1