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

Systemtic Name: 2-chloranyl-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Openeye Name: 2-chloro-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide CAS Name: 2-chloro-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]benzamide IUPAC Name: 2-chloro-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Traditional Name: 2-chloro-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]benzamide Formula: C25H27ClN5O+ MolecularWeight: 448.96778

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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)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC(CC3)N4C(=CC=N4)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H26ClN5O/c1-17-19-6-3-5-9-22(19)28-23(17)16-30-14-11-18(12-15-30)31-24(10-13-27-31)29-25(32)20-7-2-4-8-21(20)26/h2-10,13,18,28H,11-12,14-16H2,1H3,(H,29,32)/p+1