(3R)-3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(1H-benzimidazol-2-yl)piperidino]-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H29N5O2/c1-14(2)26-12-9-22-21(28)18(26)13-19(27)25-10-7-15(8-11-25)20-23-16-5-3-4-6-17(16)24-20/h3-6,14-15,18H,7-13H2,1-2H3,(H,22,28)(H,23,24)/p+1/t18-/m1/s1