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

Systemtic Name: (3S)-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropyl-4-piperidyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-methyl-1-(1-propan-2-yl-4-piperidinyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-methyl-1-(1-propan-2-ylpiperidin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropyl-4-piperidyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C22H40N5O+ MolecularWeight: 390.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN(C)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1C)C)CN(C)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(C)C

InChI

InChI=1S/C22H39N5O/c1-16(2)26-12-9-20(10-13-26)27-11-7-8-19(14-27)22(28)24(5)15-21-17(3)23-25(6)18(21)4/h16,19-20H,7-15H2,1-6H3/p+1/t19-/m0/s1