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

Systemtic Name: 1-(4-chlorophenyl)-3-[[1-[(3-ethylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[[1-[(3-ethylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-(4-chlorophenyl)-3-[[1-[(3-ethylphenyl)methyl]-4-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[[1-[(3-ethylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[[1-(3-ethylbenzyl)piperidin-1-ium-4-yl]methyl]urea Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC(=CC=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H28ClN3O/c1-2-17-4-3-5-19(14-17)16-26-12-10-18(11-13-26)15-24-22(27)25-21-8-6-20(23)7-9-21/h3-9,14,18H,2,10-13,15-16H2,1H3,(H2,24,25,27)/p+1