1-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-benzyl-3-[[1-(3-chlorobenzyl)piperidin-1-ium-4-yl]methyl]urea Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)NCC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)NCC2=CC=CC=C2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c22-20-8-4-7-19(13-20)16-25-11-9-18(10-12-25)15-24-21(26)23-14-17-5-2-1-3-6-17/h1-8,13,18H,9-12,14-16H2,(H2,23,24,26)/p+1