1-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methoxyphenyl)urea

Systemtic Name: 1-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methoxyphenyl)urea Openeye Name: 1-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methoxyphenyl)urea CAS Name: 1-[[1-[(3-chlorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(2-methoxyphenyl)urea IUPAC Name: 1-[[1-[(3-chlorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methoxyphenyl)urea Traditional Name: 1-[[1-(3-chlorobenzyl)piperidin-1-ium-4-yl]methyl]-3-(2-methoxyphenyl)urea Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)NCC2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)NCC2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-27-20-8-3-2-7-19(20)24-21(26)23-14-16-9-11-25(12-10-16)15-17-5-4-6-18(22)13-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,23,24,26)/p+1