3-[(3R)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)ethanoyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[2-(1-azepan-1-iumyl)-1-oxoethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)acetyl]piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[2-(azepan-1-ium-1-yl)acetyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C25H41N5O2+2 MolecularWeight: 443.62534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H39N5O2/c31-24(29-18-16-28(17-19-29)23-9-3-4-12-26-23)11-10-22-8-7-15-30(20-22)25(32)21-27-13-5-1-2-6-14-27/h3-4,9,12,22H,1-2,5-8,10-11,13-21H2/p+2/t22-/m1/s1