6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methyl-amino]-N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]pyridin-1-ium-3-carboxamide Formula: C21H34N6O+2 MolecularWeight: 386.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CN(C)C2=[NH+]C=C(C=C2)C(=O)NCCC3CCCC[NH+]3C

Isomeric SMILES

CC1=C(C(=NN1)C)CN(C)C2=[NH+]C=C(C=C2)C(=O)NCC[C@@H]3CCCC[NH+]3C

InChI

InChI=1S/C21H32N6O/c1-15-19(16(2)25-24-15)14-27(4)20-9-8-17(13-23-20)21(28)22-11-10-18-7-5-6-12-26(18)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3,(H,22,28)(H,24,25)/p+2/t18-/m0/s1