(3S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(1-methyl-4-pyrazolyl)ethyl]-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C20H37N5O+2 MolecularWeight: 363.54068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CN(N=C3)C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CN(N=C3)C

InChI

InChI=1S/C20H35N5O/c1-16(2)24-11-7-19(8-12-24)25-10-4-5-18(15-25)20(26)21-9-6-17-13-22-23(3)14-17/h13-14,16,18-19H,4-12,15H2,1-3H3,(H,21,26)/p+2/t18-/m0/s1