1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)urea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2,6-dimethylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)urea Traditional Name: 1-(4-tert-butylbenzyl)-3-(2,6-dimethylphenyl)-1-(2-piperidin-1-ium-1-ylethyl)urea Formula: C27H40N3O+ MolecularWeight: 422.626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CC[NH+]2CCCCC2)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CC[NH+]2CCCCC2)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H39N3O/c1-21-10-9-11-22(2)25(21)28-26(31)30(19-18-29-16-7-6-8-17-29)20-23-12-14-24(15-13-23)27(3,4)5/h9-15H,6-8,16-20H2,1-5H3,(H,28,31)/p+1