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

Systemtic Name: 3-(4-ethoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Openeye Name: 3-(4-ethoxyphenyl)-1-isopentyl-1-(1-isopropylpiperidin-1-ium-4-yl)urea CAS Name: 3-(4-ethoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)urea IUPAC Name: 3-(4-ethoxyphenyl)-1-(3-methylbutyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Traditional Name: 1-isoamyl-1-(1-isopropylpiperidin-1-ium-4-yl)-3-p-phenetyl-urea Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)C2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CCC(C)C)C2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C22H37N3O2/c1-6-27-21-9-7-19(8-10-21)23-22(26)25(16-11-17(2)3)20-12-14-24(15-13-20)18(4)5/h7-10,17-18,20H,6,11-16H2,1-5H3,(H,23,26)/p+1