4-[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-yl]carbonylpiperazin-2-one Openeye Name: 4-[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]piperazin-2-one CAS Name: 4-[[1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-4-piperidin-1-iumyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-1-ium-4-carbonyl]piperazin-2-one Traditional Name: 4-[1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]piperidin-1-ium-4-carbonyl]piperazin-2-one Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCNC(=O)C2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCNC(=O)C2)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H29N5O3/c28-20-15-27(14-9-23-20)21(29)16-5-10-25(11-6-16)17-7-12-26(13-8-17)22-24-18-3-1-2-4-19(18)30-22/h1-4,16-17H,5-15H2,(H,23,28)/p+1