(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C22H41N5O+2 MolecularWeight: 391.59384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C(C)C)C

InChI

InChI=1S/C22H39N5O/c1-17(2)25-13-8-21(9-14-25)26-11-5-7-20(16-26)22(28)23-10-6-12-27-19(4)15-18(3)24-27/h15,17,20-21H,5-14,16H2,1-4H3,(H,23,28)/p+2/t20-/m0/s1