(3S)-3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3S)-3-[2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3S)-3-[2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@@H]1CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H28N4O3/c1-14(2)25-12-9-22-20(27)17(25)13-19(26)24-10-7-15(8-11-24)21-23-16-5-3-4-6-18(16)28-21/h3-6,14-15,17H,7-13H2,1-2H3,(H,22,27)/p+1/t17-/m0/s1