azepan-1-yl-[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-yl]methanone Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H34N4O2/c29-23(27-13-5-1-2-6-14-27)19-9-15-26(16-10-19)20-11-17-28(18-12-20)24-25-21-7-3-4-8-22(21)30-24/h3-4,7-8,19-20H,1-2,5-6,9-18H2/p+1