(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-N-[2-(1-pyrazolyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(2-pyrazol-1-ylethyl)piperidin-1-ium-3-carboxamide Formula: C19H35N5O+2 MolecularWeight: 349.5141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCN3C=CC=N3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCN3C=CC=N3

InChI

InChI=1S/C19H33N5O/c1-16(2)22-12-6-18(7-13-22)23-10-3-5-17(15-23)19(25)20-9-14-24-11-4-8-21-24/h4,8,11,16-18H,3,5-7,9-10,12-15H2,1-2H3,(H,20,25)/p+2/t17-/m0/s1