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

Systemtic Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)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=CC(=C4)N5C=CC=N5

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

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