3-[(3S)-1-(6-methylpyridin-2-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[(3S)-1-(6-methylpyridin-2-yl)carbonylpiperidin-3-yl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-1-(6-methylpyridine-2-carbonyl)-3-piperidyl]propan-1-one CAS Name: 3-[(3S)-1-[(6-methyl-2-pyridinyl)-oxomethyl]-3-piperidinyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-1-(6-methylpicolinoyl)-3-piperidyl]propan-1-one Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)N2CCCC(C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)N2CCC[C@H](C2)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O2/c1-21-7-5-11-24(27-21)26(32)30-14-6-10-23(20-30)12-13-25(31)29-17-15-28(16-18-29)19-22-8-3-2-4-9-22/h2-5,7-9,11,23H,6,10,12-20H2,1H3/p+1/t23-/m0/s1