2-chloranyl-N-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-oxidanylidene-3-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propyl]benzamide Openeye Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxo-propyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[3-oxo-3-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propyl]benzamide IUPAC Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-2-chlorobenzamide Traditional Name: N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-keto-propyl]-2-chloro-benzamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCNC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCNC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3O2/c23-20-9-5-4-8-19(20)22(28)24-13-10-21(27)25-18-11-14-26(15-12-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)(H,25,27)/p+1