1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-propyl-urea

Systemtic Name: 1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-propyl-urea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-1-[[1-(m-tolylmethyl)imidazol-2-yl]methyl]-3-propyl-urea CAS Name: 1-[[1-[(3-methylphenyl)methyl]-2-imidazolyl]methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-3-propylurea IUPAC Name: 1-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-propylurea Traditional Name: 1-[[1-(3-methylbenzyl)imidazol-2-yl]methyl]-1-(2-morpholin-4-ium-4-ylethyl)-3-propyl-urea Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N(CC[NH+]1CCOCC1)CC2=NC=CN2CC3=CC=CC(=C3)C

Isomeric SMILES

CCCNC(=O)N(CC[NH+]1CCOCC1)CC2=NC=CN2CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H33N5O2/c1-3-7-24-22(28)27(11-10-25-12-14-29-15-13-25)18-21-23-8-9-26(21)17-20-6-4-5-19(2)16-20/h4-6,8-9,16H,3,7,10-15,17-18H2,1-2H3,(H,24,28)/p+1