(3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C20H36N5O+ MolecularWeight: 362.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1)C)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(C)C

InChI

InChI=1S/C20H35N5O/c1-14(2)24-10-7-18(8-11-24)25-9-5-6-17(13-25)20(26)21-12-19-15(3)22-23-16(19)4/h14,17-18H,5-13H2,1-4H3,(H,21,26)(H,22,23)/p+1/t17-/m0/s1