3-(4-chlorophenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea

Systemtic Name: 3-(4-chlorophenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Openeye Name: 3-(4-chlorophenyl)-1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)urea CAS Name: 3-(4-chlorophenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)urea IUPAC Name: 3-(4-chlorophenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Traditional Name: 3-(4-chlorophenyl)-1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)urea Formula: C20H33ClN3O+ MolecularWeight: 366.94852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CC[NH+](CC1)C(C)C)C(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCN(C1CC[NH+](CC1)C(C)C)C(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H32ClN3O/c1-15(2)9-14-24(19-10-12-23(13-11-19)16(3)4)20(25)22-18-7-5-17(21)6-8-18/h5-8,15-16,19H,9-14H2,1-4H3,(H,22,25)/p+1