N-[2-[1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide

Systemtic Name: N-[2-[1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Openeye Name: N-[2-[1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide CAS Name: N-[2-[1-[(1,2-dimethyl-3-indolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-methylbenzamide IUPAC Name: N-[2-[1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methylbenzamide Traditional Name: N-[2-[1-[(1,2-dimethylindol-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methyl-benzamide Formula: C27H32N5O+ MolecularWeight: 442.57588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C(N(C5=CC=CC=C54)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C(N(C5=CC=CC=C54)C)C

InChI

InChI=1S/C27H31N5O/c1-19-8-4-5-9-22(19)27(33)29-26-12-15-28-32(26)21-13-16-31(17-14-21)18-24-20(2)30(3)25-11-7-6-10-23(24)25/h4-12,15,21H,13-14,16-18H2,1-3H3,(H,29,33)/p+1