N-methyl-3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: N-methyl-3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: N-methyl-3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide CAS Name: N-methyl-3-(1-methyl-2-pyrrolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-pyrazole-5-carboxamide IUPAC Name: N-methyl-3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: N-methyl-3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NNC(=C2)C(=O)N(C)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C2=NNC(=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-26-13-7-11-22(26)20-16-21(25-24-20)23(29)27(2)19-10-6-14-28(17-19)15-12-18-8-4-3-5-9-18/h3-5,7-9,11,13,16,19H,6,10,12,14-15,17H2,1-2H3,(H,24,25)/p+1/t19-/m0/s1