N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Openeye Name: N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide CAS Name: N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopropanecarboxamide IUPAC Name: N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Traditional Name: N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopropanecarboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5CC5

InChI

InChI=1S/C22H27N5O/c1-15-18-4-2-3-5-19(18)24-20(15)14-26-12-9-17(10-13-26)27-21(8-11-23-27)25-22(28)16-6-7-16/h2-5,8,11,16-17,24H,6-7,9-10,12-14H2,1H3,(H,25,28)/p+1