[2-[4-[[3-(1-methylindol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]pyrimidin-5-yl]carbonyl-oxidanidyl-azanium

Systemtic Name: [2-[4-[[3-(1-methylindol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]pyrimidin-5-yl]carbonyl-oxidanidyl-azanium Openeye Name: [2-[4-[[3-(1-methylindol-3-yl)-1-piperidyl]methyl]-1-piperidyl]pyrimidine-5-carbonyl]-oxido-ammonium CAS Name: [[2-[4-[[3-(1-methyl-3-indolyl)-1-piperidinyl]methyl]-1-piperidinyl]-5-pyrimidinyl]-oxomethyl]-oxidoammonium IUPAC Name: [2-[4-[[3-(1-methylindol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carbonyl]-oxidoazanium Traditional Name: [2-[4-[[3-(1-methylindol-3-yl)piperidino]methyl]piperidino]pyrimidine-5-carbonyl]-oxido-ammonium Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3CCCN(C3)CC4CCN(CC4)C5=NC=C(C=N5)C(=O)[NH2+][O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3CCCN(C3)CC4CCN(CC4)C5=NC=C(C=N5)C(=O)[NH2+][O-]

InChI

InChI=1S/C25H32N6O2/c1-29-17-22(21-6-2-3-7-23(21)29)19-5-4-10-30(16-19)15-18-8-11-31(12-9-18)25-26-13-20(14-27-25)24(32)28-33/h2-3,6-7,13-14,17-19H,4-5,8-12,15-16,28H2,1H3