3-(5-bromanylindol-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(5-bromanylindol-1-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(5-bromoindol-1-yl)propanamide CAS Name: 3-(5-bromo-1-indolyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(5-bromoindol-1-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(5-bromoindol-1-yl)propionamide Formula: C23H27BrN3O+ MolecularWeight: 441.38398

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCN2C=CC3=C2C=CC(=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCN2C=CC3=C2C=CC(=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O/c24-20-6-7-22-19(16-20)8-14-27(22)15-11-23(28)25-21-9-12-26(13-10-21)17-18-4-2-1-3-5-18/h1-8,14,16,21H,9-13,15,17H2,(H,25,28)/p+1