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2-[(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)methyl]-6-[(3S)-piperidin-3-yl]-1H-pyrimidin-4-one
2-[(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)methyl]-6-[(3S)-piperidin-3-yl]-1H-pyrimidin-4-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC2=C(C=C1C)[N+](=CN2)CC3=NC(=O)C=C(N3)C4CCCNC4
Isomeric SMILES
CC1=CC2=C(C=C1C)[N+](=CN2)CC3=NC(=O)C=C(N3)[C@H]4CCCNC4
InChI
InChI=1S/C19H23N5O/c1-12-6-16-17(7-13(12)2)24(11-21-16)10-18-22-15(8-19(25)23-18)14-4-3-5-20-9-14/h6-8,11,14,20H,3-5,9-10H2,1-2H3,(H,22,23,25)/p+1/t14-/m0/s1
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