(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+]3CCCC(C3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=C(C=C4)C5=CC=NN5

InChI

InChI=1S/C25H27N5O/c1-17-21-6-2-3-7-23(21)28-24(17)16-30-14-4-5-19(15-30)25(31)27-20-10-8-18(9-11-20)22-12-13-26-29-22/h2-3,6-13,19,28H,4-5,14-16H2,1H3,(H,26,29)(H,27,31)/p+1/t19-/m0/s1