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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Openeye Name: 3-(3,4-dimethylphenyl)-1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)urea CAS Name: 3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)urea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Traditional Name: 3-(3,4-dimethylphenyl)-1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)urea Formula: C22H38N3O+ MolecularWeight: 360.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CCC(C)C)C2CC[NH+](CC2)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CCC(C)C)C2CC[NH+](CC2)C(C)C)C

InChI

InChI=1S/C22H37N3O/c1-16(2)9-14-25(21-10-12-24(13-11-21)17(3)4)22(26)23-20-8-7-18(5)19(6)15-20/h7-8,15-17,21H,9-14H2,1-6H3,(H,23,26)/p+1