3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-methyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]urea

Systemtic Name: 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-methyl-1-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]urea Openeye Name: 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-methyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea CAS Name: 3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-methyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea IUPAC Name: 3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-methyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]urea Traditional Name: 1-[(4-keto-1H-quinazolin-2-yl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-methyl-urea Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C25H31N5O3/c1-29(17-23-27-21-9-5-4-8-20(21)24(31)28-23)25(32)26-16-22(30-14-6-3-7-15-30)18-10-12-19(33-2)13-11-18/h4-5,8-13,22H,3,6-7,14-17H2,1-2H3,(H,26,32)(H,27,28,31)/p+1/t22-/m0/s1