azepan-1-yl-[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-(1-indan-2-yl-4-piperidyl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(1-indan-2-yl-4-piperidyl)piperidin-1-ium-3-yl]methanone Formula: C26H40N3O+ MolecularWeight: 410.6153

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C26H39N3O/c30-26(28-13-5-1-2-6-14-28)23-10-7-15-29(20-23)24-11-16-27(17-12-24)25-18-21-8-3-4-9-22(21)19-25/h3-4,8-9,23-25H,1-2,5-7,10-20H2/p+1/t23-/m0/s1