(3S)-N-cyclopropyl-1-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C22H39N5O+2 MolecularWeight: 389.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C22H37N5O/c1-3-10-27-16-19(17(2)24-27)14-25-12-8-21(9-13-25)26-11-4-5-18(15-26)22(28)23-20-6-7-20/h16,18,20-21H,3-15H2,1-2H3,(H,23,28)/p+2/t18-/m0/s1